CHEBI:228639 - N~1~,N~4~-bis(3-chloro-4-methylphenyl)but-2-enediamide

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ChEBI Name N~1~,N~4~-bis(3-chloro-4-methylphenyl)but-2-enediamide
ChEBI ID CHEBI:228639
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H16Cl2N2O2
Net Charge 0
Average Mass 363.240
Monoisotopic Mass 362.05888
InChI InChI=1S/C18H16Cl2N2O2/c1-11-3-5-13(9-15(11)19)21-17(23)7-8-18(24)22-14-6-4-12(2)16(20)10-14/h3-10H,1-2H3,(H,21,23)(H,22,24)
InChIKey CNMYZBXEGUZPQH-UHFFFAOYSA-N
SMILES ClC1=C(C=CC(NC(=O)C=CC(=O)NC2=CC(Cl)=C(C=C2)C)=C1)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: MetaboLights Study
ChEBI Ontology
Outgoing N~1~,N~4~-bis(3-chloro-4-methylphenyl)but-2-enediamide (CHEBI:228639) is a organochlorine compound (CHEBI:36683)
IUPAC Name
N,N'-bis(3-chloro-4-methylphenyl)but-2-enediamide
Manual Xref Database
2083434 ChemSpider
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