CHEBI:49101 - N-(3,4-dichlorophenyl)malonamic acid

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ChEBI Name N-(3,4-dichlorophenyl)malonamic acid
ChEBI ID CHEBI:49101
ChEBI ASCII Name N-(3,4-dichlorophenyl)malonamic acid
Definition A dicarboxylic acid monoamide that is the mono-(3,4-dichloroanilide) of malonic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C9H7Cl2NO3
Net Charge 0
Average Mass 248.06222
Monoisotopic Mass 246.98030
InChI InChI=1S/C9H7Cl2NO3/c10-6-2-1-5(3-7(6)11)12-8(13)4-9(14)15/h1-3H,4H2,(H,12,13)(H,14,15)
InChIKey JEFJREKVJYACNK-UHFFFAOYSA-N
SMILES OC(=O)CC(=O)Nc1ccc(Cl)c(Cl)c1
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing N-(3,4-dichlorophenyl)malonamic acid (CHEBI:49101) has functional parent malonamic acid (CHEBI:43991)
N-(3,4-dichlorophenyl)malonamic acid (CHEBI:49101) is a dicarboxylic acid monoamide (CHEBI:35735)
N-(3,4-dichlorophenyl)malonamic acid (CHEBI:49101) is a dichlorobenzene (CHEBI:23697)
N-(3,4-dichlorophenyl)malonamic acid (CHEBI:49101) is a monocarboxylic acid (CHEBI:25384)
N-(3,4-dichlorophenyl)malonamic acid (CHEBI:49101) is conjugate acid of N-(3,4-dichlorophenyl)malonamate (CHEBI:17318)
Incoming N-(3,4-dichlorophenyl)malonamate (CHEBI:17318) is conjugate base of N-(3,4-dichlorophenyl)malonamic acid (CHEBI:49101)
IUPAC Name
3-[(3,4-dichlorophenyl)amino]-3-oxopropanoic acid
Manual Xref Database
C04205 KEGG COMPOUND
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Registry Numbers Types Sources
17722-36-0 CAS Registry Number ChemIDplus
2811204 Reaxys Registry Number Reaxys
Last Modified
22 October 2014