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CHEBI:84013 - 2-cyano-N-[1-(2,4-dichlorophenyl)ethyl]-3,3-dimethylbutanamide

ChEBI IDCHEBI:84013
ChEBI Name2-cyano-N-[1-(2,4-dichlorophenyl)ethyl]-3,3-dimethylbutanamide
Stars
ASCII Name2-cyano-N-[1-(2,4-dichlorophenyl)ethyl]-3,3-dimethylbutanamide
DefinitionA monocarboxylic acid amide obtained by formal condensation of the carboxy group of 2-cyano-3,3-dimethylbutanoic acid with the amino group of 1-(2,4-dichlorophenyl)ethylamine.
Last Modified5 December 2014
SubmitterSteve
DownloadsMolfile
FormulaC15H18Cl2N2O
Net Charge0
Average Mass313.228
Monoisotopic Mass312.07962
SMILESCC(NC(=O)C(C#N)C(C)(C)C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H18Cl2N2O/c1-9(11-6-5-10(16)7-13(11)17)19-14(20)12(8-18)15(2,3)4/h5-7,9,12H,1-4H3,(H,19,20)
InChIKeyYEJGPFZQLRMXOI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-cyano-N-[1-(2,4-dichlorophenyl)ethyl]-3,3-dimethylbutanamide (CHEBI:84013) is a dichlorobenzene (CHEBI:23697)
2-cyano-N-[1-(2,4-dichlorophenyl)ethyl]-3,3-dimethylbutanamide (CHEBI:84013) is a monocarboxylic acid amide (CHEBI:29347)
2-cyano-N-[1-(2,4-dichlorophenyl)ethyl]-3,3-dimethylbutanamide (CHEBI:84013) is a nitrile (CHEBI:18379)
Incoming Relation(s)
(1R,2R)-diclocymet (CHEBI:84015) is a 2-cyano-N-[1-(2,4-dichlorophenyl)ethyl]-3,3-dimethylbutanamide (CHEBI:84013)
(1R,2S)-diclocymet (CHEBI:84014) is a 2-cyano-N-[1-(2,4-dichlorophenyl)ethyl]-3,3-dimethylbutanamide (CHEBI:84013)
IUPAC Name 
2-cyano-N-[1-(2,4-dichlorophenyl)ethyl]-3,3-dimethylbutanamide