IUPAC name
N-phenyl-2-[3-(trifluoromethyl)phenoxy]-3-pyridinecarboxamide
SMILES
c1ccc(cc1)NC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
flufenican
IUPAC name
N-phenyl-2-[3-(trifluoromethyl)phenoxy]-3-pyridinecarboxamide
SMILES
c1ccc(cc1)NC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F
INCHI
InChI=1S/C19H13F3N2O2/c20-19(21,22)13-6-4-9-15(12-13)26-18-16(10-5-11-23-18)17(25)24-14-7-2-1-3-8-14/h1-12H,(H,24,25)
FORMULA
C19H13F3N2O2
Common name
flufenican
IUPAC name
N-phenyl-2-[3-(trifluoromethyl)phenoxy]-3-pyridinecarboxamide
Molecular weight
358.314
clogP
4.204
clogS
-5.825
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 |
| FDBF00617 | 3-(trifluoromethyl)phenol |
|
c1(cc(ccc1)C(F)(F)F)O | 0.0024 |
| FDBF01315 | N-phenylformamide |
|
c1(ccccc1)NC=O | 0.0058 |
| FDBF04304 | pyridine-3-carboxamide |
|
n1cc(ccc1)C(=O)N | 0.0014 |
| FDBF04993 | 3H-pyridin-2-one |
|
O=C1N=CC=CC1 | 0.0027 |
| FDBF06145 | N-phenylpyridine-3-carboxamide |
|
c1(cnccc1)C(=O)Nc1ccccc1 | 0.0003 |
| FDBF06146 | (3R)-2-oxo-N-phenyl-3H-pyridine-3-carboxamide |
|
[C@H]1(C(=O)N=CC=C1)C(=O)Nc1ccccc1 | 0.0003 |
13 ,
2
