IUPAC name
N-(4-fluorophenyl)-N-(1-methylethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide
SMILES
CC(C)N(c1ccc(cc1)F)C(=O)COc1nnc(C(F)(F)F)s1
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
flufenacet
IUPAC name
N-(4-fluorophenyl)-N-(1-methylethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide
SMILES
CC(C)N(c1ccc(cc1)F)C(=O)COc1nnc(C(F)(F)F)s1
INCHI
InChI=1S/C14H13F4N3O2S/c1-8(2)21(10-5-3-9(15)4-6-10)11(22)7-23-13-20-19-12(24-13)14(16,17)18/h3-6,8H,7H2,1-2H3
FORMULA
C14H13F4N3O2S
Common name
flufenacet
IUPAC name
N-(4-fluorophenyl)-N-(1-methylethyl)-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide
Molecular weight
363.331
clogP
4.064
clogS
-4.204
HBond Acceptor
4
HBond Donor
0
Total Polar Surface Area
83.56
Number of Rings
2
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00003 | formamide |
|
C(=O)N | 0.1240 |
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00015 | acetamide |
|
NC(=O)C | 0.0460 |
| FDBF00177 | fluoroform |
|
FC(F)F | 0.0704 |
| FDBF00378 | fluorobenzene |
|
Fc1ccccc1 | 0.0237 |
| FDBF01143 | N-isopropylacetamide |
|
CC(C)NC(=O)C | 0.0024 |
| FDBF01870 | 1,3,4-thiadiazole |
|
s1cnnc1 | 0.0024 |
| FDBF06139 | N-(4-fluorophenyl)formamide |
|
N(C=O)c1ccc(cc1)F | 0.0003 |
| FDBF06141 | N-(4-fluorophenyl)acetamide |
|
N(C(=O)C)c1ccc(cc1)F | 0.0003 |
14 ,
2
