<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">68592</id>
  <title nil="true"/>
  <common-name>Acetamide, N,N'-(4-nitro-1,3-phenylene)bis-</common-name>
  <description>Acetamide, N,N'-(4-nitro-1,3-phenylene)bis- belongs to the anilides, a subclass of benzene and substituted derivatives within the organic compounds. It is a member of the benzenoids superclass with the chemical formula C10H11N3O4. The compound has an average molecular weight of 237.22 g/mol.</description>
  <cas>119-76-6</cas>
  <pubchem-id>67073</pubchem-id>
  <chemical-formula>C10H11N3O4</chemical-formula>
  <weight>237.21</weight>
  <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">2026-04-03T12:45:32Z</created-at>
  <updated-at type="dateTime">2026-08-17T22:34:49Z</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>CC(=O)NC1=CC(NC(C)=O)=C(C=C1)[N+]([O-])=O</moldb-smiles>
  <moldb-formula>C10H11N3O4</moldb-formula>
  <moldb-inchi>InChI=1S/C10H11N3O4/c1-6(14)11-8-3-4-10(13(16)17)9(5-8)12-7(2)15/h3-5H,1-2H3,(H,11,14)(H,12,15)</moldb-inchi>
  <moldb-inchikey>BBPXRFUIVJRWKY-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">237.215</moldb-average-mass>
  <moldb-mono-mass type="decimal">237.074956</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.3</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>60423</chemspider-id>
  <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>CHEM064485</chemdb-id>
  <dsstox-id>DTXSID6059495</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00023882</susdat-id>
  <iupac>N-(3-acetamido-4-nitrophenyl)acetamide</iupac>
  <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>Anilides</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0184832</sync-id>
  <structure-inchikey>BBPXRFUIVJRWKY-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>8000000000000000008100000000000004000000000000000000008000002000000000000000000000000000000000000000000020040000000000000000000000000020000000000000001800000000400000000000010000000210400000100000000000000000000000000000000000400000000040000000000000000000000080000000001000000080000000000000000000000000000008000000080000000000000000000000000000000000000000000000004000000000000000000000000000000000000000000200000000000000008000000000000040000000000400000000001000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAARAAAAEQAAAIABBgBgAAAAAQMGACgAAAAD
BAgAKAAAAAMCBwBoAAAAAwIBBkAoAAAAAwQGQGgAAAADAwEGQCgAAAADBAcA
aAAAAAMCAQYAKAAAAAMEBgBgAAAAAQMIACgAAAADAgZAKAAAAAMEBkBoAAAA
AwMBBkBoAAAAAwMBByAqAAAAAQMECCAqAAAA/wMBCAAoAAAAAwILAAEAAQIo
AgEDIAMEIAQFaAwFBmgMBgcgBwggCAkACAooAgYLaAwLDGgMDA1oDAsOIA4P
IA4QKAINBGgMQgEAAAAGBA0MCwYFFwQAAAAAAAAAFg==
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:18:28Z</structure-indexed-at>
</compound>
