IUPAC name
3-chloro-N2-(1-cyano-1-methylethyl)-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)C#N)Cl)C(C(F)(F)F)(C(F)(F)F)F
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
cyhalodiamide
IUPAC name
3-chloro-N2-(1-cyano-1-methylethyl)-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)C#N)Cl)C(C(F)(F)F)(C(F)(F)F)F
INCHI
InChI=1S/C22H17ClF7N3O2/c1-11-9-12(20(24,21(25,26)27)22(28,29)30)7-8-15(11)32-17(34)13-5-4-6-14(23)16(13)18(35)33-19(2,3)10-31/h4-9H,1-3H3,(H,32,34)(H,33,35)
FORMULA
C22H17ClF7N3O2
Common name
cyhalodiamide
IUPAC name
3-chloro-N2-(1-cyano-1-methylethyl)-N1-[2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl]-1,2-benzenedicarboxamide
Molecular weight
523.831
clogP
6.778
clogS
-7.332
HBond Acceptor
4
HBond Donor
2
Total Polar Surface Area
85.48
Number of Rings
2
Rotatable Bond
8
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00003 | formamide |
|
C(=O)N | 0.1240 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF00177 | fluoroform |
|
FC(F)F | 0.0704 |
| FDBF01731 | N-(o-tolyl)formamide |
|
O=CNc1c(cccc1)C | 0.0034 |
| FDBF02697 | 1,1,1,2-tetrafluoroethane |
|
FC(F)(F)CF | 0.0024 |
| FDBF02764 | 2-methylpropanenitrile |
|
C(C)(C)C#N | 0.0027 |
| FDBF03732 | 2-chlorobenzamide |
|
Clc1c(cccc1)C(=O)N | 0.0007 |
| FDBF04827 | 2-chloro-N-(2-cyanopropan-2-yl)benzamide |
|
C(C)(C)(C#N)NC(=O)c1ccccc1Cl | 0.0003 |
| FDBF04828 | N-[4-(fluoromethyl)-2-methylphenyl]formamide |
|
N(C=O)c1c(C)cc(cc1)CF | 0.0007 |
