EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:38798 - flubendiamide

ChEBI IDCHEBI:38798
ChEBI Nameflubendiamide
Stars
Last Modified3 August 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC23H22F7IN2O4S
Net Charge0
Average Mass682.396
Monoisotopic Mass682.02332
SMILESCc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1NC(=O)c1cccc(I)c1C(=O)NC(C)(C)CS(C)(=O)=O
InChIInChI=1S/C23H22F7IN2O4S/c1-12-10-13(21(24,22(25,26)27)23(28,29)30)8-9-16(12)32-18(34)14-6-5-7-15(31)17(14)19(35)33-20(2,3)11-38(4,36)37/h5-10H,11H2,1-4H3,(H,32,34)(H,33,35)
InChIKeyZGNITFSDLCMLGI-UHFFFAOYSA-N
Roles Classification
Biological Role:
Applications:
insecticide  Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.
pesticide  Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.
pesticide  Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.
ChEBI Ontology
Outgoing Relation(s)
flubendiamide (CHEBI:38798) has functional parent phthalamide (CHEBI:38799)
flubendiamide (CHEBI:38798) has role ryanodine receptor modulator (CHEBI:38809)
flubendiamide (CHEBI:38798) is a organofluorine insecticide (CHEBI:38804)
IUPAC Name 
N2-[1,1-dimethyl-2-(methylsulfonyl)ethyl]-3-iodo-N1-{2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl}benzene-1,2-dicarboxamide
Synonyms  Source
flubendiamideChemIDplus
N2-[1,1-dimethyl-2-(methylsulfonyl)ethyl]-3-iodo-N1-{2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl}phthalamideIUPAC
Manual XrefsDatabases
C18520KEGG COMPOUND
1132PPDB
Registry NumbersSources
CAS:272451-65-7ChemIDplus
CAS:272451-65-7KEGG COMPOUND