<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">335213</id>
  <title nil="true"/>
  <common-name>(e)-n-(4-butylphenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide</common-name>
  <description>(e)-n-(4-butylphenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide is a chemical compound with the formula C23H22ClNO2. It has an average molecular weight of 379.90 g/mol.</description>
  <cas>853348-22-8</cas>
  <pubchem-id>45051020</pubchem-id>
  <chemical-formula>C23H22ClNO2</chemical-formula>
  <weight>379.9</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">2026-08-30T17:16:48Z</created-at>
  <updated-at type="dateTime">2026-08-30T17:16:48Z</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>CCCCC1=CC=C(C=C1)NC(=O)C=CC2=CC=C(O2)C3=CC=CC=C3Cl</moldb-smiles>
  <moldb-formula>C23H22ClNO2</moldb-formula>
  <moldb-inchi>InChI=1S/C23H22ClNO2/c1-2-3-6-17-9-11-18(12-10-17)25-23(26)16-14-19-13-15-22(27-19)20-7-4-5-8-21(20)24/h4-5,7-16H,2-3,6H2,1H3,(H,25,26)/b16-14+</moldb-inchi>
  <moldb-inchikey>CBUFOWKHGMNFJN-JQIJEIRASA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">379.1339066</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>CHEM331106</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>(e)-n-(4-butylphenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide</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>Anilides</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0285688</sync-id>
  <structure-inchikey>CBUFOWKHGMNFJN-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>1000000000000800000000040000000000000000100000000000000008002000002000200010000008002000000000000080000000000000000000000000000000000400000010000000000000020800000000200000000000000000000000020010000001010000000000000000000000040000000032080000001000000040040000400800000000000000080000004000100000000001000000000000000000000000000080000080000000000000000000000000000000000000000000000000000000800000000000000200010000000000000000220000000002000008000000000000040000000010500004000000000100000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAbAAAAHQAAAIABBgBgAAAAAQMGAGAAAAAC
AgYAYAAAAAICBgBgAAAAAgIGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZA
KAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBwBoAAAAAwIBBgAoAAAAAwQIACgA
AAADAgYAaAAAAAMDAQYAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMBBkBoAAAA
AwMBBkAoAAAAAwQIQCgAAAADAgZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMB
BkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQRACAAAAABCwABAAECAAIDAAME
AAQFaAwFBmgMBgdoDAcIaAwICWgMBwogCgsgCwwoAgsNIA0OKAIODyAPEGgM
EBFoDBESaAwSE2gMEhQgFBVoDBUWaAwWF2gMFxhoDBgZaAwZGgAJBGgMEw9o
DBkUaAxCAwAAAAYECQgHBgUFEA8TEhEGFRYXGBkUFwQAAAAAAAAAFg==
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:36:55Z</structure-indexed-at>
</compound>
