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CHEBI:2533 - alachlor

ChEBI IDCHEBI:2533
ChEBI Namealachlor
Stars
DefinitionAn 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substituted by a methoxymethyl group at at the nitrogen atom while one of the hydrogens of the methyl group has been replaced by a chlorine atom.
Last Modified8 March 2017
DownloadsMolfile
FormulaC14H20ClNO2
Net Charge0
Average Mass269.772
Monoisotopic Mass269.11826
SMILESCCc1cccc(CC)c1N(COC)C(=O)CCl
InChIInChI=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
InChIKeyXCSGPAVHZFQHGE-UHFFFAOYSA-N
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)
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  Source
AlachlorKEGG COMPOUND
2-Chloro-2',6'-diethyl-N-(methoxymethyl)acetanilideChemIDplus
AlachloreChemIDplus
Chloressigsaeure-N-(methoxymethyl)-2,6-diaethylanilidChemIDplus
UniProt Name  Source
alachlorUniProt
Manual XrefsDatabases
C10928KEGG COMPOUND
HMDB0031766HMDB
alachlorAlan Wood's Pesticides
LSM-19972LINCS
17PPDB
Registry NumbersSources
Reaxys:2944476Reaxys
CAS:15972-60-8KEGG COMPOUND
CAS:15972-60-8ChemIDplus
CAS:15972-60-8NIST Chemistry WebBook
Citations