IUPAC name
N2-[1,1-dimethyl-2-(methylsulfonyl)ethyl]-3-iodo-N1-[2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl]-1,2-benzenedicarboxamide
SMILES
Cc1cc(ccc1NC(=O)c1cccc(c1C(=O)NC(C)(C)CS(=O)(=O)C)I)C(C(F)(F)F)(C(F)(F)F)F
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
flubendiamide
IUPAC name
N2-[1,1-dimethyl-2-(methylsulfonyl)ethyl]-3-iodo-N1-[2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl]-1,2-benzenedicarboxamide
SMILES
Cc1cc(ccc1NC(=O)c1cccc(c1C(=O)NC(C)(C)CS(=O)(=O)C)I)C(C(F)(F)F)(C(F)(F)F)F
INCHI
InChI=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)
FORMULA
C23H22F7IN2O4S
Common name
flubendiamide
IUPAC name
N2-[1,1-dimethyl-2-(methylsulfonyl)ethyl]-3-iodo-N1-[2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl]-1,2-benzenedicarboxamide
Molecular weight
682.390
clogP
6.888
clogS
-8.085
HBond Acceptor
5
HBond Donor
2
Total Polar Surface Area
95.83
Number of Rings
2
Rotatable Bond
9
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00003 | formamide |
|
C(=O)N | 0.1240 |
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00012 | isobutane |
|
C(C)(C)C | 0.0611 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF00177 | fluoroform |
|
FC(F)F | 0.0704 |
| FDBF00317 | (dihydroxy-λ3-sulfanyl)methane |
|
C[S](O)O | 0.0141 |
| FDBF01731 | N-(o-tolyl)formamide |
|
O=CNc1c(cccc1)C | 0.0034 |
| FDBF02864 | methylsulfonylmethane |
|
S(=O)(=O)(C)C | 0.0010 |
| FDBF04828 | N-[4-(fluoromethyl)-2-methylphenyl]formamide |
|
N(C=O)c1c(C)cc(cc1)CF | 0.0007 |
| FDBF05012 | 2-iodobenzamide |
|
c1c(c(ccc1)I)C(=O)N | 0.0003 |
