Common name
N,4-dimethylbenzamide
IUPAC name
N,4-dimethylbenzamide
SMILES
N(C(=O)c1ccc(cc1)C)C
Common name
N,4-dimethylbenzamide
IUPAC name
N,4-dimethylbenzamide
SMILES
N(C(=O)c1ccc(cc1)C)C
INCHI
InChI=1S/C9H11NO/c1-7-3-5-8(6-4-7)9(11)10-2/h3-6H,1-2H3,(H,10,11)
FORMULA
C9H11NO
Common name
N,4-dimethylbenzamide
IUPAC name
N,4-dimethylbenzamide
Molecular weight
149.190
clogP
1.839
clogS
-2.547
Frequency
0.0003
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
29.1
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03040 | tolprocarb |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3bx5_ligand_1_0.mol2 | 3bx5 | 1 | -7.65 | C(=O)(NC)c1ccc(cc1)C | 11 |
| 3cpb_ligand_2_9.mol2 | 3cpb | 1 | -7.39 | CNC(=O)c1ccc(cc1)C | 11 |
| 2igy_ligand_3_4.mol2 | 2igy | 1 | -6.91 | O=C(NC)c1ccc(cc1)C | 11 |
| 1nms_ligand_3_25.mol2 | 1nms | 1 | -6.70 | Cc1ccc(cc1)C(=O)NC | 11 |
| 4ifh_ligand_2_27.mol2 | 4ifh | 1 | -6.60 | N(C(=O)c1ccc(cc1)C)C | 11 |
| 2gm1_ligand_3_60.mol2 | 2gm1 | 1 | -6.48 | CN(C(=O)c1ccc(cc1)C)C | 12 |
| 2gm1_ligand_2_20.mol2 | 2gm1 | 1 | -6.41 | N(C(=O)c1ccc(cc1)C)C | 11 |
| 2gm1_ligand_2_32.mol2 | 2gm1 | 1 | -6.39 | CNC(=O)c1ccc(cc1)C | 11 |
190 ,
20
