IUPAC name
7-chloro-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-one
SMILES
FC(F)(F)CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1
Compound class
Anti-Anxiety Agents; Hypnotics and Sedatives; Benzodiazepines; Neuromuscular Agents; Nervous System; Benzodiazepine Derivatives; Anxiolytics; Psycholeptics;
Therapeutic area
Used to relieve anxiety, nervousness, and tension associated with anxiety disorders.
Common name
Halazepam
IUPAC name
7-chloro-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-one
SMILES
FC(F)(F)CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1
INCHI
InChI=1S/C17H12ClF3N2O/c18-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)22-9-15(24)23(14)10-17(19,20)21/h1-8H,9-10H2
FORMULA
C17H12ClF3N2O
Common name
Halazepam
IUPAC name
7-chloro-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-one
Molecular weight
352.738
clogP
5.005
clogS
-5.658
HBond Acceptor
2
HBond Donor
0
Total Polar Surface Area
32.67
Number of Rings
3
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00177 | fluoroform |
|
FC(F)F | 0.0704 |
| FDBF00974 | 1,1,1-trifluoroethane |
|
CC(F)(F)F | 0.0072 |
| FDBF01604 | 7-chloro-1-methyl-3H-1,4-benzodiazepin-2-one |
|
Clc1cc2c(cc1)N(C(=O)CN=C2)C | 0.0021 |
| FDBF01607 | 7-chloro-1,3-dihydro-1,4-benzodiazepin-2-one |
|
Clc1cc2c(cc1)NC(=O)CN=C2 | 0.0017 |
