EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:2394 - acetochlor

ChEBI IDCHEBI:2394
ChEBI Nameacetochlor
Stars
DefinitionA monocarboxylic acid amide that is N-phenylacetamide carrying an ethyl and a methyl group at positions 2 and 6 respectively on the benzene ring while one of the methyl hydrogens as well as the hydrogen attached to the nitrogen atom have been replaced by a chloro and an ethoxymethyl group respectively.
Last Modified8 March 2017
DownloadsMolfile
FormulaC14H20ClNO2
Net Charge0
Average Mass269.772
Monoisotopic Mass269.11826
SMILESCCOCN(C(=O)CCl)c1c(C)cccc1CC
InChIInChI=1S/C14H20ClNO2/c1-4-12-8-6-7-11(3)14(12)16(10-18-5-2)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3
InChIKeyVTNQPKFIQCLBDU-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
Application:
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
acetochlor (CHEBI:2394) has functional parent N-phenylacetamide (CHEBI:28884)
acetochlor (CHEBI:2394) has role environmental contaminant (CHEBI:78298)
acetochlor (CHEBI:2394) has role herbicide (CHEBI:24527)
acetochlor (CHEBI:2394) has role xenobiotic (CHEBI:35703)
acetochlor (CHEBI:2394) is a aromatic amide (CHEBI:62733)
acetochlor (CHEBI:2394) is a monocarboxylic acid amide (CHEBI:29347)
acetochlor (CHEBI:2394) is a organochlorine compound (CHEBI:36683)
IUPAC Name 
2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide
Synonyms  Source
AcetochlorKEGG COMPOUND
2-Chloro-2'-methyl-6-ethyl-N-ethoxymethylacetanilideChemIDplus
2-Chloro-N-(ethoxymethyl)-6'-ethylacet-o-toluidideChemIDplus
2-Chloro-N-(ethoxymethyl)-6'-ethyl-o-acetotoluidideChemIDplus
AcetochloreChemIDplus
UniProt Name  Source
acetochlorUniProt
Manual XrefsDatabases
C10925KEGG COMPOUND
AcetochlorWikipedia
acetochlorAlan Wood's Pesticides
12PPDB
Registry NumbersSources
Reaxys:2859702Reaxys
CAS:34256-82-1KEGG COMPOUND
CAS:34256-82-1NIST Chemistry WebBook
CAS:34256-82-1ChemIDplus
Citations