Common name
3,5-dimethylbenzamide
IUPAC name
3,5-dimethylbenzamide
SMILES
c1c(cc(cc1C)C(=O)N)C
Common name
3,5-dimethylbenzamide
IUPAC name
3,5-dimethylbenzamide
SMILES
c1c(cc(cc1C)C(=O)N)C
INCHI
InChI=1S/C9H11NO/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3,(H2,10,11)
FORMULA
C9H11NO
Common name
3,5-dimethylbenzamide
IUPAC name
3,5-dimethylbenzamide
Molecular weight
149.190
clogP
1.902
clogS
-2.288
Frequency
0.0014
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
43.09
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01773 | Eluxadoline |
|
Gastrointestinal Agents; | For the treatment of irritable bowel syndrome with diarrhea (IBS-D). |
| FDBD01995 | chromafenozide |
|
Insecticide | Insecticide |
| FDBD01999 | tebufenozide |
|
Insecticide | Insecticide |
| FDBD02355 | benzipram |
|
Herbicide | Herbicide |
4 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3n7h_ligand_1_0.mol2 | 3n7h | 1 | -7.39 | c1(cc(ccc1)C)C(=O)N | 10 |
| 3hb4_ligand_2_1.mol2 | 3hb4 | 1 | -7.03 | Cc1cc(ccc1)C(=O)N | 10 |
| 4awo_ligand_1_8.mol2 | 4awo | 1 | -6.97 | c1ccc(cc1C(=O)N)C | 10 |
| 3fr5_ligand_2_2.mol2 | 3fr5 | 1 | -6.91 | Cc1cc(ccc1)C(=O)N | 10 |
| 4zip_ligand_1_9.mol2 | 4zip | 1 | -6.78 | NC(=O)c1cc(ccc1)C | 10 |
| 2viv_ligand_1_2.mol2 | 2viv | 1 | -6.49 | c1(cc(cc(c1)C)C)C(=O)N | 11 |
| 2viq_ligand_1_4.mol2 | 2viq | 1 | -6.43 | c1(cc(cc(c1)C)C)C(=O)N | 11 |
| 2viw_ligand_1_3.mol2 | 2viw | 1 | -6.40 | NC(=O)c1cc(cc(c1)C)C | 11 |
| 4xx3_ligand_2_9.mol2 | 4xx3 | 1 | -6.33 | C(=O)(N)c1cc(ccc1)C | 10 |
432 ,
44
