304898 <common-name>7-chloro-1-ethenyl-5-(2-fluorophenyl)-3h-1,4-benzodiazepin-2-one</common-name> <description>7-chloro-1-ethenyl-5-(2-fluorophenyl)-3h-1,4-benzodiazepin-2-one belongs to the 1,4-benzodiazepines, a subclass of benzodiazepines within the organic compounds. This organoheterocyclic compound has the formula C17H12ClFN2O and an average molecular weight of 314.70 g/mol.</description> <cas>53514-78-6</cas> <pubchem-id>3041149</pubchem-id> <chemical-formula>C17H12ClFN2O</chemical-formula> <weight>314.7</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">2026-08-28T22:26:14Z</created-at> <updated-at type="dateTime">2026-08-28T22:26:14Z</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>C=CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F</moldb-smiles> <moldb-formula>C17H12ClFN2O</moldb-formula> <moldb-inchi>InChI=1S/C17H12ClFN2O/c1-2-21-15-8-7-11(18)9-13(15)17(20-10-16(21)22)12-5-3-4-6-14(12)19/h2-9H,1,10H2</moldb-inchi> <moldb-inchikey>DBFQMJFAXMWUGL-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">314.0622189</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.2</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>CHEM300791</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-ethenyl-5-(2-fluorophenyl)-3h-1,4-benzodiazepin-2-one</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>1,4-benzodiazepines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0256018</sync-id> <structure-inchikey>DBFQMJFAXMWUGL-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>8010000000400000000000080000000000000000000000020020000008000002000000000000000001040000000000000000000000000400000000000000080000020000000000210000008080000000000000002000080000010000000104000000000020100000000000080000000000080000000000000800000000000000008000001000100000000000000000000000100000000000000000201080000000001000000000000000000000000000000000000000000000000000000040000000010000000000000000200000000000000000000008000000040008000001000800000000000002000000000000000</structure-fingerprint> <structure-pattern-fingerprint>501000000912864080000b40012820000000140001052000003520c08200080c462288d4128000000100410800c000000420002dc08c32010022743000a04080c7110c001680041000901080006202000804058051011b32404404624022c8000c38043f0048020042200400d5140000240680508901e0447938244002710202004410184ef0820808060244da2c000c395c8812444016820020080020c0408180c310000010c00002004b48057c27100ac00000ab4308401280421008c00210811012e404d00013018000441615028004010002421050000d000200080003001010481012a100040804040151522000081000309442001e0008108052100407</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���h�B����������� � �� � �����������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:13:48Z</structure-indexed-at> </compound>