Common name
4-amino-N-ethyl-benzamide
IUPAC name
4-amino-N-ethyl-benzamide
SMILES
CCNC(=O)c1ccc(cc1)N
Common name
4-amino-N-ethyl-benzamide
IUPAC name
4-amino-N-ethyl-benzamide
SMILES
CCNC(=O)c1ccc(cc1)N
INCHI
InChI=1S/C9H12N2O/c1-2-11-9(12)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3,(H,11,12)
FORMULA
C9H12N2O
Common name
4-amino-N-ethyl-benzamide
IUPAC name
4-amino-N-ethyl-benzamide
Molecular weight
164.204
clogP
0.990
clogS
-2.216
Frequency
0.0003
HBond Acceptor
1
HBond Donor
3
Total PolarSurface Area
55.12
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00888 | Procainamide |
|
Anti-Arrhythmia Agents; Voltage-Gated Sodium Channel Blockers; Cardiovascular System; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; Antiarrhythmics, Class Ia; CYP2D6 Inducers; CYP2D6 Inducers (strong); | For the treatment of life-threatening ventricular arrhythmias. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1lf2_ligand_3_268.mol2 | 1lf2 | 1 | -6.95 | C(C)NC(=O)c1ccc(cc1)N | 12 |
| 1lf2_ligand_3_277.mol2 | 1lf2 | 1 | -6.91 | C(C)NC(=O)c1ccc(cc1)N | 12 |
| 4bb4_ligand_4_1.mol2 | 4bb4 | 1 | -6.46 | c1(ccc(cc1)N)C(=O)NCC | 12 |
| 1lf2_ligand_4_701.mol2 | 1lf2 | 0.97619 | -7.26 | C(C)(C)NC(=O)c1ccc(cc1)N | 13 |
| 4r7m_ligand_3_1.mol2 | 4r7m | 0.931818 | -6.94 | c1(ccccc1)CNC(=O)c1ccc(cc1)N | 17 |
| 1lf2_ligand_2_70.mol2 | 1lf2 | 0.902439 | -6.69 | CNC(=O)c1ccc(cc1)N | 11 |
| 2vgp_ligand_2_2.mol2 | 2vgp | 0.902439 | -6.50 | Nc1ccc(C(=O)NC)cc1 | 11 |
| 4bb4_ligand_3_2.mol2 | 4bb4 | 0.902439 | -6.39 | c1(ccc(cc1)N)C(=O)NC | 11 |
| 1rww_ligand_3_52.mol2 | 1rww | 0.902439 | -6.19 | Nc1ccc(cc1)C(=O)NC | 11 |
| 4r7m_ligand_2_0.mol2 | 4r7m | 0.902439 | -6.06 | C(=O)(NC)c1ccc(cc1)N | 11 |
119 ,
12
