EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:81920 - flufenacet

ChEBI IDCHEBI:81920
ChEBI Nameflufenacet
Stars
DefinitionAn aromatic amide that is acetamide in which the amino hydrogens have been replaced by a propan-2-yl and 4-fluorophenyl groups while the methyl hydrogen is replaced by a [5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy group.
Last Modified10 November 2014
DownloadsMolfile
FormulaC14H13F4N3O2S
Net Charge0
Average Mass363.336
Monoisotopic Mass363.06646
SMILESCC(C)N(C(=O)COc1nnc(C(F)(F)F)s1)c1ccc(F)cc1
InChIInChI=1S/C14H13F4N3O2S/c1-8(2)21(10-5-3-9(15)4-6-10)11(22)7-23-13-20-19-12(24-13)14(16,17)18/h3-6,8H,7H2,1-2H3
InChIKeyIANUJLZYFUDJIH-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)
flufenacet (CHEBI:81920) has role environmental contaminant (CHEBI:78298)
flufenacet (CHEBI:81920) has role herbicide (CHEBI:24527)
flufenacet (CHEBI:81920) has role xenobiotic (CHEBI:35703)
flufenacet (CHEBI:81920) is a aromatic amide (CHEBI:62733)
flufenacet (CHEBI:81920) is a monofluorobenzenes (CHEBI:83575)
flufenacet (CHEBI:81920) is a thiadiazoles (CHEBI:38099)
IUPAC Name 
N-(4-fluorophenyl)-N-(propan-2-yl)-2-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy}acetamide
Synonyms  Source
4'-fluoro-N-isopropyl-2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yloxy]acetanilideAlan Wood's Pesticides
ThiafluamideChemIDplus
Manual XrefsDatabases
C18731KEGG COMPOUND
FlufenacetWikipedia
flufenacetAlan Wood's Pesticides
US2011152087Patent
US2011160059Patent
US2011152089Patent
331PPDB
Registry NumbersSources
Reaxys:8787751Reaxys
CAS:142459-58-3KEGG COMPOUND
CAS:142459-58-3ChemIDplus
Citations