IUPAC name
ethyl N-(2-amino-4-{[(4-fluorophenyl)methyl]amino}phenyl)carbamate
SMILES
CCOC(=O)NC1=C(N)C=C(NCC2=CC=C(F)C=C2)C=C1
Compound class
Anticonvulsants; Nervous System; Antiepileptics; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong);
Therapeutic area
Adjuvant treatment of partial-onset seizures.
Common name
Ezogabine
IUPAC name
ethyl N-(2-amino-4-{[(4-fluorophenyl)methyl]amino}phenyl)carbamate
SMILES
CCOC(=O)NC1=C(N)C=C(NCC2=CC=C(F)C=C2)C=C1
INCHI
InChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,18H2,1H3,(H,20,21)
FORMULA
C16H18FN3O2
Common name
Ezogabine
IUPAC name
ethyl N-(2-amino-4-{[(4-fluorophenyl)methyl]amino}phenyl)carbamate
Molecular weight
303.331
clogP
2.292
clogS
-4.752
HBond Acceptor
2
HBond Donor
4
Total Polar Surface Area
76.38
Number of Rings
2
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00046 | aniline |
|
Nc1ccccc1 | 0.0247 |
| FDBF00378 | fluorobenzene |
|
Fc1ccccc1 | 0.0237 |
| FDBF00906 | ethyl carbamate |
|
CCOC(=O)N | 0.0055 |
| FDBF01444 | 1-fluoro-4-methyl-benzene |
|
Cc1ccc(cc1)F | 0.0038 |
| FDBF03276 | N1-methylbenzene-1,3-diamine |
|
Nc1cc(ccc1)NC | 0.0003 |
| FDBF03277 | (4-fluorophenyl)methanamine |
|
Fc1ccc(cc1)CN | 0.0007 |
| FDBF03278 | N3-[(4-fluorophenyl)methyl]benzene-1,3-diamine |
|
Fc1ccc(cc1)CNc2cc(ccc2)N | 0.0003 |
7 ,
1
