3-(2,4-dichloroanilino)-1-(4-methoxyphenyl)prop-2-en-1-one (CHEBI:228442)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	3-(2,4-dichloroanilino)-1-(4-methoxyphenyl)prop-2-en-1-one

ChEBI ID	CHEBI:228442

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H13Cl2NO2

Net Charge

Average Mass

322.190

Monoisotopic Mass

321.03233

InChI

InChI=1S/C16H13Cl2NO2/c1-21-13-5-2-11(3-6-13)16(20)8-9-19-15-7-4-12(17)10-14(15)18/h2-10,19H,1H3

InChIKey

JNEGLDKZVIITMM-UHFFFAOYSA-N

SMILES

ClC1=C(NC=CC(=O)C2=CC=C(OC)C=C2)C=CC(Cl)=C1

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: MetaboLights Study

ChEBI Ontology
Outgoing	3-(2,4-dichloroanilino)-1-(4-methoxyphenyl)prop-2-en-1-one (CHEBI:228442) is a dichlorobenzene (CHEBI:23697)

IUPAC Name

3-(2,4-dichloroanilino)-1-(4-methoxyphenyl)prop-2-en-1-one