Common name
N-methyl-4-(trifluoromethyl)benzamide
IUPAC name
N-methyl-4-(trifluoromethyl)benzamide
SMILES
C(F)(F)(F)c1ccc(C(=O)NC)cc1
Common name
N-methyl-4-(trifluoromethyl)benzamide
IUPAC name
N-methyl-4-(trifluoromethyl)benzamide
SMILES
C(F)(F)(F)c1ccc(C(=O)NC)cc1
INCHI
InChI=1S/C9H8F3NO/c1-13-8(14)6-2-4-7(5-3-6)9(10,11)12/h2-5H,1H3,(H,13,14)
FORMULA
C9H8F3NO
Common name
N-methyl-4-(trifluoromethyl)benzamide
IUPAC name
N-methyl-4-(trifluoromethyl)benzamide
Molecular weight
203.161
clogP
2.417
clogS
-3.071
Frequency
0.0003
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
29.1
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02906 | flumetover |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3bx5_ligand_1_0.mol2 | 3bx5 | 0.829268 | -7.65 | C(=O)(NC)c1ccc(cc1)C | 11 |
| 3cpb_ligand_2_9.mol2 | 3cpb | 0.829268 | -7.39 | CNC(=O)c1ccc(cc1)C | 11 |
| 2igy_ligand_3_4.mol2 | 2igy | 0.829268 | -6.91 | O=C(NC)c1ccc(cc1)C | 11 |
| 1nms_ligand_3_25.mol2 | 1nms | 0.829268 | -6.70 | Cc1ccc(cc1)C(=O)NC | 11 |
| 4ifh_ligand_2_27.mol2 | 4ifh | 0.829268 | -6.60 | N(C(=O)c1ccc(cc1)C)C | 11 |
| 2gm1_ligand_3_60.mol2 | 2gm1 | 0.829268 | -6.48 | CN(C(=O)c1ccc(cc1)C)C | 12 |
| 2gm1_ligand_2_20.mol2 | 2gm1 | 0.829268 | -6.41 | N(C(=O)c1ccc(cc1)C)C | 11 |
| 2gm1_ligand_2_32.mol2 | 2gm1 | 0.829268 | -6.39 | CNC(=O)c1ccc(cc1)C | 11 |
192 ,
20
