CHEBI:2533 - alachlor

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ChEBI Name alachlor
ChEBI ID CHEBI:2533
Definition An aromatic amide that is N-(2,6-diethylphenyl)acetamide substituted by a methoxymethyl group at at the nitrogen atom while one of the hydrogens of the methyl group has been replaced by a chlorine atom.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB2437008, eMolecules:505744, eMolecules:26756735, ZINC000000900557
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Formula C14H20ClNO2
Net Charge 0
Average Mass 269.76700
Monoisotopic Mass 269.11826
InChI InChI=1S/C14H20ClNO2/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3
InChIKey XCSGPAVHZFQHGE-UHFFFAOYSA-N
SMILES CCc1cccc(CC)c1N(COC)C(=O)CCl
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 alachlor (CHEBI:2533) has functional parent N-phenylacetamide (CHEBI:28884)
alachlor (CHEBI:2533) has role environmental contaminant (CHEBI:78298)
alachlor (CHEBI:2533) has role herbicide (CHEBI:24527)
alachlor (CHEBI:2533) has role xenobiotic (CHEBI:35703)
alachlor (CHEBI:2533) is a aromatic amide (CHEBI:62733)
alachlor (CHEBI:2533) is a monocarboxylic acid amide (CHEBI:29347)
alachlor (CHEBI:2533) is a organochlorine compound (CHEBI:36683)
IUPAC Name
2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide
Synonyms Sources
2-Chloro-2',6'-diethyl-N-(methoxymethyl)acetanilide ChemIDplus
alachlor UniProt
Alachlor KEGG COMPOUND
Alachlore ChemIDplus
Chloressigsaeure-N-(methoxymethyl)-2,6-diaethylanilid ChemIDplus
Manual Xrefs Databases
17 PPDB
alachlor Alan Wood's Pesticides
C10928 KEGG COMPOUND
HMDB0031766 HMDB
LSM-19972 LINCS
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Registry Numbers Types Sources
15972-60-8 CAS Registry Number NIST Chemistry WebBook
15972-60-8 CAS Registry Number ChemIDplus
2944476 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11807927 PubMed citation Europe PMC
23599414 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