Flubendiamide
1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-iodo-2-N-(2-methyl-1-methylsulfonylpropan-2-yl)benzene-1,2-dicarboxamide
Molecular Identity
Flubendiamide
1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-iodo-2-N-(2-methyl-1-methylsulfonylpropan-2-yl)benzene-1,2-dicarboxamide
PubChem CID: 11193251
Flubendiamide is an organofluorine insecticide. It has a role as a ryanodine receptor modulator. It is functionally related to a phthalamide.
2D Structure
Properties
C23H22F7IN2O4S
Molecular Formula
682.40
Molecular Weight
g/mol
682.0233
Exact Mass
Da
5.3
XLogP
Above Lipinski threshold
101
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
11
H-Bond Acceptors
968
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)F)NC(=O)C2=C(C(=CC=C2)I)C(=O)NC(C)(C)CS(=O)(=O)CIsomeric SMILES
SMILES: CC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)F)NC(=O)C2=C(C(=CC=C2)I)C(=O)NC(C)(C)CS(=O)(=O)CSynonyms(20)
flubendiamide272451-65-73-Iodo-N2-(2-methyl-1-(methylsulfonyl)propan-2-yl)-N1-(2-methyl-4-(perfluoropropan-2-yl)phenyl)phthalamideFAMEDTXSID4047672GEV84ZI4K6FENOSSYNAPSECHEBI:38798DTXCID2027672NNI-00013-iodo-N-(2-methanesulfonyl-1,1-dmethylethyl)-N'-(2-methyl-4-(1,2,2,2-tetrafluoro-1-trifluoromethylethyl)phenyl)phthalamideN(2)-[1,1-dimethyl-2-(methylsulfonyl)ethyl]-3-iodo-N(1)-{2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl}benzene-1,2-dicarboxamideN(2)-(1,1-dimethyl-2-(methylsulfonyl)ethyl)-3-iodo-N(1)-(2-methyl-4-(1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl)phenyl)benzene-1,2-dicarboxamideRefChem:140797
Data from PubChem (NCBI)
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