<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">292390</id>
  <title nil="true"/>
  <common-name>4-butoxy-3,5-diiodo-n-(propan-2-ylideneamino)benzamide</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>212169</pubchem-id>
  <chemical-formula>C14H18I2N2O2</chemical-formula>
  <weight>500.11</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">2026-08-28T07:41:02Z</created-at>
  <updated-at type="dateTime">2026-08-28T07:41:02Z</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>CCCCOC1=C(C=C(C=C1I)C(=O)NN=C(C)C)I</moldb-smiles>
  <moldb-formula>C14H18I2N2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C14H18I2N2O2/c1-4-5-6-20-13-11(15)7-10(8-12(13)16)14(19)18-17-9(2)3/h7-8H,4-6H2,1-3H3,(H,18,19)</moldb-inchi>
  <moldb-inchikey>FOBDCLVFCHFSTL-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">499.94577</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.9</logp>
  <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>CHEM288283</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>4-butoxy-3,5-diiodo-n-(propan-2-ylideneamino)benzamide</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>Benzoic acids and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0243952</sync-id>
  <structure-inchikey>FOBDCLVFCHFSTL-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40400000000000000800000000000000000000000000000000000000000000000000002000002000600000000000000000000000000000000004002000000000000000000000002010000000000000020040000000108000204000000000000002020010000000000000000100000000000000000100000000000000000400000000040000000000000010000000080000000000000000020000000000000000000000000000000800000084000002000000000080000000000000000000000000010000000000000000000000000000000000000000000000000000000000000000000000000000040000000010400000000000000000000000010000000</structure-fingerprint>
  <structure-pattern-fingerprint>50000010012206008000010001083800000004000125200000b420400200000c40020010008000040004410800800000042000ac808c30010000643000a04000c4110400020006000090100000628200000005805000113240000422000009000c2804060040820000040000d4340001200280500921e0043138000402110002004000180cc0820808020200082c0008115c0012464014820000080000400080004300001010c00880000940017c25100ac00000894108c010000200084002100100008404002012018000040401028004000000021050000d000204080001000010081000210004000000020112200200100010844200160000008050040006</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������(������@(������@(������@h�������@(������@h�������@(�����5� ������(�������(�������h��������(�������(�������`�������`�����5� ������������������� ��h���h���h��	h�	
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	�������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:04:34Z</structure-indexed-at>
</compound>
