Common name
3-bromo-N-methyl-benzamide
IUPAC name
3-bromo-N-methyl-benzamide
SMILES
CNC(=O)c1cc(ccc1)Br
Common name
3-bromo-N-methyl-benzamide
IUPAC name
3-bromo-N-methyl-benzamide
SMILES
CNC(=O)c1cc(ccc1)Br
INCHI
InChI=1S/C8H8BrNO/c1-10-8(11)6-3-2-4-7(9)5-6/h2-5H,1H3,(H,10,11)
FORMULA
C8H8BrNO
Common name
3-bromo-N-methyl-benzamide
IUPAC name
3-bromo-N-methyl-benzamide
Molecular weight
214.059
clogP
2.043
clogS
-3.038
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 |
|---|---|---|---|---|
| FDBD00288 | Remoxipride |
|
Antipsychotic Agents; Dopamine Antagonists; Nervous System; Psycholeptics; Benzamides; CYP2D6 Inducers; CYP2D6 Inducers (strong); | Remoxipride is an atypical antipsychotic once used for the treatment of schizophrenia. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4de3_ligand_1_0.mol2 | 4de3 | 0.833333 | -6.38 | O=C(N)c1cccc(c1)Br | 10 |
| 2ze1_ligand_1_5.mol2 | 2ze1 | 0.833333 | -6.34 | c1(cccc(c1)Br)C(=O)N | 10 |
| 4ngr_ligand_2_81.mol2 | 4ngr | 0.822222 | -6.06 | c1cc(Br)ccc1C(=O)NC | 11 |
| 4oc6_ligand_2_5.mol2 | 4oc6 | 0.804348 | -6.57 | C(=O)(NC)c1ccccc1Br | 11 |
| 4oc6_ligand_3_43.mol2 | 4oc6 | 0.74 | -6.88 | C(=O)(NCC)c1ccccc1Br | 12 |
| 4m3b_ligand_2_7.mol2 | 4m3b | 0.738095 | -7.65 | c1(ccccc1)C(=O)NC | 10 |
| 4m3d_ligand_2_22.mol2 | 4m3d | 0.738095 | -7.62 | c1ccc(cc1)C(=O)NC | 10 |
| 4m3e_ligand_2_15.mol2 | 4m3e | 0.738095 | -7.53 | c1(ccccc1)C(=O)NC | 10 |
177 ,
18
