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

ChEBI IDCHEBI:49101
ChEBI NameN-(3,4-dichlorophenyl)malonamic acid
Stars
ASCII NameN-(3,4-dichlorophenyl)malonamic acid
DefinitionA dicarboxylic acid monoamide that is the mono-(3,4-dichloroanilide) of malonic acid.
Last Modified22 October 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC9H7Cl2NO3
Net Charge0
Average Mass248.065
Monoisotopic Mass246.98030
SMILESO=C(O)CC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=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)
InChIKeyJEFJREKVJYACNK-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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 XrefsDatabases
C04205KEGG COMPOUND
Registry NumbersSources
Reaxys:2811204Reaxys
CAS:17722-36-0ChemIDplus