<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">120504</id>
  <title nil="true"/>
  <common-name>N-(2-Carboxyphenyl)phenoxyacetamide</common-name>
  <description>N-(2-Carboxyphenyl)phenoxyacetamide belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C15H13NO4 and an average molecular weight of 271.27 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id nil="true"/>
  <chemical-formula>C15H13NO4</chemical-formula>
  <weight nil="true"/>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-04-06T03:13:55Z</created-at>
  <updated-at type="dateTime">2026-04-06T03:13:55Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>OC(=O)C1=CC=CC=C1NC(=O)COC1=CC=CC=C1</moldb-smiles>
  <moldb-formula>C15H13NO4</moldb-formula>
  <moldb-inchi>InChI=1S/C15H13NO4/c17-14(10-20-11-6-2-1-3-7-11)16-13-9-5-4-8-12(13)15(18)19/h1-9H,10H2,(H,16,17)(H,18,19)</moldb-inchi>
  <moldb-inchikey>RKNMVALGNSLQQL-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">271.272</moldb-average-mass>
  <moldb-mono-mass type="decimal">271.0844579</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM116397</chemdb-id>
  <dsstox-id>DTXSID50171976</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00096715</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Benzoic acids and derivatives</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0158840</sync-id>
  <structure-inchikey>RKNMVALGNSLQQL-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000000800002000000000000000100000080000000000000000000000000000000200000000000000004000000000000000080000000000000000000000000200000000000000000000020000000000100000000000040000000000000010000000000000000000000000000000000000000000000000000000000010000000000800000000000000080000000000100000080000000000000000000000000000000000000080000000000000001080000000000000000000000000000000000000000000000000000000000008000000000000200000000000000008000000000000040010000200400000008000000000100080000000000</structure-fingerprint>
  <structure-pattern-fingerprint>401000000922064480000900010820000000040000052000003500400200000c40020050008000000000410800800000042000a4c08c30010020743000a04080c6110c0002000600009010a000620100000401805000013240000422000249000c200406004082000000040054340001200080500125e8047118000002710002004400180cc0800808020204882c0008111c0812444014820004080000400080004300801010c00000000940057c25100ac00000884108401000020008c002100000000404400012018000040401028000000000020040000d000000080000000000001002010000000000024002200000100030804200060008008050000406</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���h��������(�������(������@(������@h�������@h�������@h�������@h�������@(�������h��������(�������(�������`�������(������@(������@h�������@h�������@h�������@h�������@h��������� ��(��� ��h���h���h���h���h��	 	
 
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  <structure-indexed-at type="dateTime">2026-09-19T04:44:47Z</structure-indexed-at>
</compound>
