CHEBI:135477 - halocarban

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ChEBI Name halocarban ChEBI ID CHEBI:135477 Definition A phenylurea that is urea substituted by 4-chlorophenyl and 4-chloro-3-trifluoromethylphenyl groups at positions 1 and 3 respectively. It is often used in deodarants and soaps on account of its anbacterial properties. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C14H9Cl2F3N2O Net Charge 0 Average Mass 349.136 Monoisotopic Mass 348.00440 InChI InChI=1S/C14H9Cl2F3N2O/c15-8-1-3-9(4-2-8)20-13(22)21-10-5-6-12(16)11(7-10)14(17,18)19/h1-7H,(H2,20,21,22) InChIKey ZFSXZJXLKAJIGS-UHFFFAOYSA-N SMILES C(NC1=CC=C(C=C1)Cl)(NC2=CC=C(C(=C2)C(F)(F)F)Cl)=O Roles Classification Biological Role(s): antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. View more via ChEBI Ontology ChEBI Ontology Outgoing halocarban (CHEBI:135477) has part trifluoromethyl group (CHEBI:50127) halocarban (CHEBI:135477) has role antibacterial agent (CHEBI:33282) halocarban (CHEBI:135477) is a monochlorobenzenes (CHEBI:83403) halocarban (CHEBI:135477) is a phenylureas (CHEBI:134043) IUPAC Name N-(4-chlorophenyl)-N'-[4-chloro-3-(trifluoromethyl)phenyl]urea INNs Sources halocarban WHO MedNet halocarban WHO MedNet halocarbano WHO MedNet halocarbanum WHO MedNet Synonyms Sources 4,4'-Dichloro-3-(trifluoromethyl)carbanilide ChemIDplus cloflucarban DrugCentral N-(4-Chlorophenyl)-N'-(4-chloro-3-(trifluoromethyl)phenyl)urea ChemIDplus trifluoromethyldichlorocarbanilide DrugCentral Manual Xref Database 3108 DrugCentral View more database links Registry Numbers Types Sources 369-77-7 CAS Registry Number ChemIDplus 369-77-7 CAS Registry Number DrugCentral Citation Type Source 30033524 PubMed citation Europe PMC Last Modified 14 December 2018