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CHEBI:34590 - bromobutide

ChEBI IDCHEBI:34590
ChEBI Namebromobutide
Stars
DefinitionA monocarboxylic acid amide having a 2-phenylpropan-2-yl substituent attached to the amide nitrogen and a 1-bromo-2,2-dimethylpropyl group attached to the carbonyl carbon.
Last Modified28 July 2014
DownloadsMolfile
FormulaC15H22BrNO
Net Charge0
Average Mass312.251
Monoisotopic Mass311.08848
SMILESCC(C)(NC(=O)C(Br)C(C)(C)C)c1ccccc1
InChIInChI=1S/C15H22BrNO/c1-14(2,3)12(16)13(18)17-15(4,5)11-9-7-6-8-10-11/h6-10,12H,1-5H3,(H,17,18)
InChIKeyWZDDLAZXUYIVMU-UHFFFAOYSA-N
Roles Classification
Application:
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
bromobutide (CHEBI:34590) has role herbicide (CHEBI:24527)
bromobutide (CHEBI:34590) is a monocarboxylic acid amide (CHEBI:29347)
bromobutide (CHEBI:34590) is a organobromine compound (CHEBI:37141)
IUPAC Name 
2-bromo-3,3-dimethyl-N-(2-phenylpropan-2-yl)butanamide
Synonyms  Source
BromobutideKEGG COMPOUND
SumiherbKEGG COMPOUND
2-Bromo-3,3-dimethyl-N-(1-methyl-1-phenylethyl)butanamideKEGG COMPOUND
2-Bromo-3,3-dimethyl-N-N-(alpha-alpha-dimethylbenzyl)butyramideChemIDplus
S 47 (pesticide)ChemIDplus
S-4347ChemIDplus
Manual XrefsDatabases
C14568KEGG COMPOUND
1372PPDB
Registry NumbersSources
Beilstein:6861914Beilstein
CAS:74712-19-9KEGG COMPOUND
CAS:74712-19-9ChemIDplus
CAS:74712-19-9NIST Chemistry WebBook