304954 <common-name>3-(2-phenylacetyl)-1h-indole-5-carbonitrile</common-name> <description>3-(2-phenylacetyl)-1h-indole-5-carbonitrile belongs to the phenylacetylindoles, a subclass of indoles and derivatives within the organic compounds. This organoheterocyclic compound has the chemical formula C17H12N2O and an average molecular weight of 260.29 g/mol.</description> <cas>17380-23-3</cas> <pubchem-id>28508</pubchem-id> <chemical-formula>C17H12N2O</chemical-formula> <weight>260.29</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">2026-08-28T22:29:50Z</created-at> <updated-at type="dateTime">2026-08-28T22:29:50Z</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>C1=CC=C(C=C1)CC(=O)C2=CNC3=C2C=C(C=C3)C#N</moldb-smiles> <moldb-formula>C17H12N2O</moldb-formula> <moldb-inchi>InChI=1S/C17H12N2O/c18-10-13-6-7-16-14(8-13)15(11-19-16)17(20)9-12-4-2-1-3-5-12/h1-8,11,19H,9H2</moldb-inchi> <moldb-inchikey>CQBGCMKFYSUZPJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">260.094963</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3</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>CHEM300847</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>3-(2-phenylacetyl)-1h-indole-5-carbonitrile</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>Indoles and derivatives</klass> <subklass>Phenylacetylindoles</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0256074</sync-id> <structure-inchikey>CQBGCMKFYSUZPJ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800002400100000000000000000000000000000000000000000000024000048000000000000004000000001000000000000000000000000000000000000000000000000000000020001020000000000000000000000000000200030000000000000000100000000040000000000000000000000000000000000000200000800000200000800000000000000100000001000000000000000000000000000000040000088000000000000000000000000000000000000000000000000000000000000000000000000000040000000000000220000000000000000000000000000041000000000400005000200001000100002000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAUAAAAFgAAAIABBkBoAAAAAwMBBkBoAAAA AwMBBkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGAGAAAAAC AgYAKAAAAAMECAAoAAAAAwIGQCgAAAADBAZAaAAAAAMDAQdAOAAAAAMBAwZA KAAAAAMEBkAoAAAAAwQGQGgAAAADAwEGQCgAAAADBAZAaAAAAAMDAQZAaAAA AAMDAQYAKAAAAAIEBwAoAAAAAgMLAAFoDAECaAwCA2gMAwRoDAQFaAwDBgAG BwAHCCgCBwkgCQpoDAoLaAwLDGgMDA1oDA0OaAwOD2gMDxBoDBARaAwPEiAS EygDBQBoDA0JaAwRDGgMQgMAAAAGAAUEAwIBBQoJDQwLBg4PEBEMDRcEAAAA AAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:13:51Z</structure-indexed-at> </compound>