IUPAC name
3-(benzoylmethylamino)-N-[2-bromo-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-6-(trifluoromethyl)phenyl]-2-fluorobenzamide
SMILES
CN(c1cccc(c1F)C(=O)Nc1c(cc(cc1Br)C(C(F)(F)F)(C(F)(F)F)F)C(F)(F)F)C(=O)c1ccccc1
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
broflanilide
IUPAC name
3-(benzoylmethylamino)-N-[2-bromo-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-6-(trifluoromethyl)phenyl]-2-fluorobenzamide
SMILES
CN(c1cccc(c1F)C(=O)Nc1c(cc(cc1Br)C(C(F)(F)F)(C(F)(F)F)F)C(F)(F)F)C(=O)c1ccccc1
INCHI
InChI=1S/C25H14BrF11N2O2/c1-39(21(41)12-6-3-2-4-7-12)17-9-5-8-14(18(17)27)20(40)38-19-15(23(29,30)31)10-13(11-16(19)26)22(28,24(32,33)34)25(35,36)37/h2-11H,1H3,(H,38,40)
FORMULA
C25H14BrF11N2O2
Common name
broflanilide
IUPAC name
3-(benzoylmethylamino)-N-[2-bromo-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-6-(trifluoromethyl)phenyl]-2-fluorobenzamide
Molecular weight
663.277
clogP
8.457
clogS
-8.837
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
52.9
Number of Rings
3
Rotatable Bond
9
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00177 | fluoroform |
|
FC(F)F | 0.0704 |
| FDBF00858 | N-methylbenzamide |
|
CNC(=O)c1ccccc1 | 0.0031 |
| FDBF00879 | bromobenzene |
|
Brc1ccccc1 | 0.0045 |
| FDBF02697 | 1,1,1,2-tetrafluoroethane |
|
FC(F)(F)CF | 0.0024 |
| FDBF04678 | 2-fluorobenzamide |
|
c1c(c(ccc1)C(=O)N)F | 0.0003 |
