chempirical

Clonazepam

C15H10ClN3O3CAS 1622-61-3315.71 g/mol

Open in Covalent MOL file
ON+O−ClNONH
Aryl halideImineNitro

Properties

Molecular formula
C15H10ClN3O3
Molar mass
315.71 g/mol
Exact mass
315.0411 Da
Melting point
236.5–238.5 °C
logP
3.69Crippen estimate
Polar surface area
88.1 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Identifiers

CAS number
1622-61-3
SMILES
O=[N+]([O-])c1ccc2c(c1)C(c1ccccc1Cl)=NCC(O)=N2
InChIKey
DGBIGWXXNGSACT-UHFFFAOYSA-N
InChI
InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)

Weigh it out

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

Names and synonyms

23 names · show all
  • 2H-1,4-Benzodiazepin-2-one, 5-(2-chlorophenyl)-1,3-dihydro-7-nitro-
  • 2H-1,4-Benzodiazepin-2-one, 5-(o-chlorophenyl)-1,3-dihydro-7-nitro-
  • 5-(2-Chlorophenyl)-1,3-dihydro-7-nitro-2H-1,4-benzodiazepin-2-one
  • Ro 5-4023
  • 5-(o-Chlorophenyl)-1,3-dihydro-7-nitro-2H-1,4-benzodiazepin-2-one
  • 1,3-Dihydro-7-nitro-5-(o-chlorophenyl)-2H-1,4-benzodiazepin-2-one
  • 7-Nitro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2(1H)-one
  • Rivotril
  • 5-(6-Chlorophenyl)-1,3-dihydro-7-nitro-2H-1,4-benzodiazepin-2-one
  • Clonopin
  • Antilepsin
  • Antelepsin
  • Klonopin
  • Landsen
  • Kenoket
  • Clonex
  • Paxam
  • Iktorivil
  • Lonazep
  • NSC 179913
  • Apetryl
  • 5-(2-Chlorophenyl)-7-nitro-2,3-dihydro-1,4-benzodiazepin-2-one
  • 5-(2-Chlorophenyl)-7-nitro-1H-1,4-benzodiazepin-2(3H)-one

Work with Clonazepam

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

Nitrazepam146-22-575 % similar Delorazepam2894-67-965 % similar Phenazepam51753-57-262 % similar 2-Chloro-5-nitrobenzanilide22978-25-252 % similar N-(2-Benzoyl-4-nitrophenyl)-2-bromoacetamide2011-70-351 % similar Desalkylflurazepam2886-65-950 % similar 2-Chloro-5-nitrobenzoic acid2516-96-349 % similar 2-Amino-5-nitro-2′-chlorobenzophenone2011-66-747 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook