IUPAC name
N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]-3-pyridinecarboxamide
SMILES
c1cc(cc(c1)Oc1c(cccn1)C(=O)Nc1ccc(cc1F)F)C(F)(F)F
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
diflufenican
IUPAC name
N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]-3-pyridinecarboxamide
SMILES
c1cc(cc(c1)Oc1c(cccn1)C(=O)Nc1ccc(cc1F)F)C(F)(F)F
INCHI
InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)
FORMULA
C19H11F5N2O2
Common name
diflufenican
IUPAC name
N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]-3-pyridinecarboxamide
Molecular weight
394.295
clogP
5.056
clogS
-6.658
HBond Acceptor
3
HBond Donor
1
Total Polar
Surface Area
51.22
Number of Rings
3
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00003 | formamide |
|
C(=O)N | 0.1240 |
| FDBF00006 | phenol |
|
c1ccc(cc1)O | 0.0897 |
| FDBF00014 | pyridine |
|
c1cccnc1 | 0.0333 |
| FDBF00177 | fluoroform |
|
FC(F)F | 0.0704 |
| FDBF00269 | 1,3-difluorobenzene |
|
Fc1cccc(c1)F | 0.0072 |
| FDBF00617 | 3-(trifluoromethyl)phenol |
|
c1(cc(ccc1)C(F)(F)F)O | 0.0024 |
| FDBF04304 | pyridine-3-carboxamide |
|
n1cc(ccc1)C(=O)N | 0.0014 |
| FDBF04993 | 3H-pyridin-2-one |
|
O=C1N=CC=CC1 | 0.0027 |
| FDBF06001 | N-(2,4-difluorophenyl)formamide |
|
c1(c(cc(cc1)F)F)NC=O | 0.0003 |
| FDBF06005 | (3R)-N-(2,4-difluorophenyl)-2-oxo-3H-pyridine-3-carboxamide |
|
c1(c(cc(cc1)F)F)NC(=O)[C@@H]1C(=O)N=CC=C1 | 0.0003 |
14 ,
2
