CHEBI:2394 - acetochlor

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ChEBI Name acetochlor
ChEBI ID CHEBI:2394
Definition A 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on the benzene ring while one of the methyl hydrogens as well as the hydrogen attached to the nitrogen atom have been replaced by a chloro and an ethoxymethyl group respectively.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C14H20ClNO2
Net Charge 0
Average Mass 269.76684
Monoisotopic Mass 269.118
InChI InChI=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
InChIKey VTNQPKFIQCLBDU-UHFFFAOYSA-N
SMILES CCOCN(C(=O)CCl)c1c(C)cccc1CC
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role(s): 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(s): herbicide
A substance used to destroy plant pests.
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ChEBI Ontology
Outgoing 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 Sources
2-Chloro-2'-methyl-6-ethyl-N-ethoxymethylacetanilide ChemIDplus
2-Chloro-N-(ethoxymethyl)-6'-ethyl-o-acetotoluidide ChemIDplus
2-Chloro-N-(ethoxymethyl)-6'-ethylacet-o-toluidide ChemIDplus
acetochlor UniProt
Acetochlor KEGG COMPOUND
Acetochlore ChemIDplus
Manual Xrefs Databases
12 PPDB
acetochlor Alan Wood's Pesticides
Acetochlor Wikipedia
C10925 KEGG COMPOUND
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Registry Numbers Types Sources
2859702 Reaxys Registry Number Reaxys
2859702 Beilstein Registry Number Beilstein
34256-82-1 CAS Registry Number ChemIDplus
34256-82-1 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
16646021 PubMed citation Europe PMC
17534384 PubMed citation Europe PMC
Last Modified
08 March 2017
General Comment
2014-10-29 Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag