EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:79751 - 2-(3,5-dichlorophenylcarbamoyl)-1,2-dimethylcyclopropane-1-carboxylic acid

ChEBI IDCHEBI:79751
ChEBI Name2-(3,5-dichlorophenylcarbamoyl)-1,2-dimethylcyclopropane-1-carboxylic acid
Stars
DefinitionA monocarboxylic acid that is cyclopropanecarboxylic acid substituted by methyl groups at positions 1 and 2 and a 3,5-dichlorophenylcarbamoyl group at position 2.
Last Modified2 March 2015
DownloadsMolfile
FormulaC13H13Cl2NO3
Net Charge0
Average Mass302.157
Monoisotopic Mass301.02725
SMILESCC1(C(=O)O)CC1(C)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H13Cl2NO3/c1-12(6-13(12,2)11(18)19)10(17)16-9-4-7(14)3-8(15)5-9/h3-5H,6H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyKIHJEJVWUXTXPZ-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)
2-(3,5-dichlorophenylcarbamoyl)-1,2-dimethylcyclopropane-1-carboxylic acid (CHEBI:79751) has functional parent cyclopropanecarboxylic acid (CHEBI:23500)
2-(3,5-dichlorophenylcarbamoyl)-1,2-dimethylcyclopropane-1-carboxylic acid (CHEBI:79751) is a anilide (CHEBI:13248)
2-(3,5-dichlorophenylcarbamoyl)-1,2-dimethylcyclopropane-1-carboxylic acid (CHEBI:79751) is a cyclopropanes (CHEBI:51454)
2-(3,5-dichlorophenylcarbamoyl)-1,2-dimethylcyclopropane-1-carboxylic acid (CHEBI:79751) is a dichlorobenzene (CHEBI:23697)
2-(3,5-dichlorophenylcarbamoyl)-1,2-dimethylcyclopropane-1-carboxylic acid (CHEBI:79751) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
2-[(3,5-dichlorophenyl)carbamoyl]-1,2-dimethylcyclopropanecarboxylic acid
Manual XrefsDatabases
C15249KEGG COMPOUND
Registry NumbersSources
Reaxys:8394814Reaxys
CAS:71937-45-6KEGG COMPOUND
CAS:71937-45-6ChemIDplus