IUPAC name
2-(3,4-dimethoxyphenyl)-N-ethyl-α,α,α-trifluoro-N-methyl-p-toluamide
SMILES
CCN(C)C(=O)c1ccc(cc1c1ccc(c(c1)OC)OC)C(F)(F)F
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
flumetover
IUPAC name
2-(3,4-dimethoxyphenyl)-N-ethyl-α,α,α-trifluoro-N-methyl-p-toluamide
SMILES
CCN(C)C(=O)c1ccc(cc1c1ccc(c(c1)OC)OC)C(F)(F)F
INCHI
InChI=1S/C19H20F3NO3/c1-5-23(2)18(24)14-8-7-13(19(20,21)22)11-15(14)12-6-9-16(25-3)17(10-12)26-4/h6-11H,5H2,1-4H3
FORMULA
C19H20F3NO3
Common name
flumetover
IUPAC name
2-(3,4-dimethoxyphenyl)-N-ethyl-α,α,α-trifluoro-N-methyl-p-toluamide
Molecular weight
367.362
clogP
4.601
clogS
-5.561
HBond Acceptor
3
HBond Donor
0
Total Polar Surface Area
38.77
Number of Rings
2
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00024 | N-methylformamide |
|
N(C=O)C | 0.0106 |
| FDBF00162 | trifluoromethylbenzene |
|
c1ccc(cc1)C(F)(F)F | 0.0172 |
| FDBF00177 | fluoroform |
|
FC(F)F | 0.0704 |
| FDBF00211 | anisole |
|
COc1ccccc1 | 0.0423 |
| FDBF00297 | 1,2-dimethoxybenzene |
|
O(C)c1ccccc1OC | 0.0093 |
| FDBF00858 | N-methylbenzamide |
|
CNC(=O)c1ccccc1 | 0.0031 |
| FDBF01843 | N-ethyl-N-methyl-formamide |
|
O=CN(C)CC | 0.0010 |
| FDBF07122 | N-ethyl-N-methylbenzamide |
|
CCN(C(=O)c1ccccc1)C | 0.0003 |
| FDBF07123 | N-methyl-4-(trifluoromethyl)benzamide |
|
C(F)(F)(F)c1ccc(C(=O)NC)cc1 | 0.0003 |
10 ,
2
