<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">325639</id>
  <title nil="true"/>
  <common-name>4-chloro-n-[(e)-(2-chlorophenyl)methylideneamino]-2-(2-methylanilino)benzamide</common-name>
  <description>4-chloro-n-[(e)-(2-chlorophenyl)methylideneamino]-2-(2-methylanilino)benzamide is a compound with the formula C21H17Cl2N3O. It has an average molecular weight of 398.30 g/mol.</description>
  <cas>75412-45-2</cas>
  <pubchem-id>9588297</pubchem-id>
  <chemical-formula>C21H17Cl2N3O</chemical-formula>
  <weight>398.3</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">2026-08-30T03:31:27Z</created-at>
  <updated-at type="dateTime">2026-08-30T03:31:27Z</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>CC1=CC=CC=C1NC2=C(C=CC(=C2)Cl)C(=O)NN=CC3=CC=CC=C3Cl</moldb-smiles>
  <moldb-formula>C21H17Cl2N3O</moldb-formula>
  <moldb-inchi>InChI=1S/C21H17Cl2N3O/c1-14-6-2-5-9-19(14)25-20-12-16(22)10-11-17(20)21(27)26-24-13-15-7-3-4-8-18(15)23/h2-13,25H,1H3,(H,26,27)/b24-13+</moldb-inchi>
  <moldb-inchikey>VNDPLOZCZMAWKA-ZMOGYAJESA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">397.0748676</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.5</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>CHEM321532</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-chloro-n-[(e)-(2-chlorophenyl)methylideneamino]-2-(2-methylanilino)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>CED0276270</sync-id>
  <structure-inchikey>VNDPLOZCZMAWKA-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>1000000010000000000000000400000000400080000000000000000000000002000000000002000000080000000000400000000002100800000000000000400000000000000000000020200000000200000004000000000000000000010080000000000080100000000000080000000040020000000000000000000040000000800000200000000080000000021100000080000000000000000000000000000000000040080100000000000000000000000000000000000002000000000000000000000000000000000010008000002000000200000000000000000000000000001040000000000400000000000000000181000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������@(������@h�������@h�������@h�������@h�������@(�������h�������@(������@(������@h�������@h�������@(������@h�������� ������(�������(�������h��������(�������h�������@(������@h�������@h�������@h�������@h�������@(������� ����������h���h���h���h���h��� �� �	h�	
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���	�����������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:29:30Z</structure-indexed-at>
</compound>
