<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">305823</id>
  <title nil="true"/>
  <common-name>7-chloro-1-ethyl-5-phenyl-1,5-benzodiazepine-2,4-dione</common-name>
  <description>7-chloro-1-ethyl-5-phenyl-1,5-benzodiazepine-2,4-dione belongs to the benzodiazepines, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C17H15ClN2O2 and an average molecular weight of 314.80 g/mol.</description>
  <cas>22316-25-2</cas>
  <pubchem-id>211115</pubchem-id>
  <chemical-formula>C17H15ClN2O2</chemical-formula>
  <weight>314.8</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">2026-08-28T23:29:09Z</created-at>
  <updated-at type="dateTime">2026-08-28T23:29:09Z</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>CCN1C(=O)CC(=O)N(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3</moldb-smiles>
  <moldb-formula>C17H15ClN2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C17H15ClN2O2/c1-2-19-14-9-8-12(18)10-15(14)20(17(22)11-16(19)21)13-6-4-3-5-7-13/h3-10H,2,11H2,1H3</moldb-inchi>
  <moldb-inchikey>GWVJSTVUWPHUTL-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">314.0822054</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.5</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>CHEM301716</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>7-chloro-1-ethyl-5-phenyl-1,5-benzodiazepine-2,4-dione</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>Organoheterocyclic compounds</superklass>
  <klass>Benzodiazepines</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0256901</sync-id>
  <structure-inchikey>GWVJSTVUWPHUTL-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>80200000000000800000000000000000000440000000000080000000000000000002000020000000000000000004000000000000000000000000000000000000000000400000080000000000000020000000000000000000000000000000000002000080000000000000100000000000020100000100000000000000000000004040000000800000000000080000000080000100000000000000000000010100000000000000000000080000000000000000000000000000000010000000000008020000000000000000000000000012000000000000000200000000000000000040000000000040000000001100000000004000000000000000000000</structure-fingerprint>
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  <structure-pickle>ï¾­Þ������������������������€���`�������`�������(�������(�������(�������`�������(�������(�������(������@(������@(������@h�������@h�������@(������@h�������� �����@(������@h�������@h�������@h�������@h�������@h��������������� ��(���������(��� �	 	
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  <structure-indexed-at type="dateTime">2026-09-19T05:14:32Z</structure-indexed-at>
</compound>
