chempirical

Phenazepam

C15H10BrClN2OCAS 51753-57-2349.61 g/mol

Open in Covalent MOL file
OHNBrClN
Aryl halideImine

Properties

Molecular formula
C15H10BrClN2O
Molar mass
349.61 g/mol
Exact mass
347.9665 Da
Melting point
220–222 °C
logP
4.54Crippen estimate
Polar surface area
45.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
51753-57-2
SMILES
OC1=Nc2ccc(Br)cc2C(c2ccccc2Cl)=NC1
InChIKey
CGMJQQJSWIRRRL-UHFFFAOYSA-N
InChI
InChI=1S/C15H10BrClN2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 2H-1,4-Benzodiazepin-2-one, 7-bromo-5-(2-chlorophenyl)-1,3-dihydro-
  • 7-Bromo-5-(2-chlorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
  • Fenazepam
  • BD 98
  • 7-Bromo-5-(2-chlorophenyl)-1,3-dihydrobenzo[e]-1,4-diazepin-2-one

Work with Phenazepam

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Delorazepam2894-67-973 % similar Bromazepam1812-30-264 % similar Clonazepam1622-61-362 % similar Desalkylflurazepam2886-65-956 % similar 1,3-Dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one2898-08-049 % similar Nitrazepam146-22-543 % similar 2-Chloro-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]acetamide14405-03-942 % similar 5-Bromo-2-chlorobenzoic acid21739-92-442 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook