chempirical

Clofazimine

C27H22Cl2N4CAS 2030-63-9473.40 g/mol

Open in Covalent MOL file
NNClNNHCl
Aryl halideSecondary amine

Properties

Molecular formula
C27H22Cl2N4
Molar mass
473.40 g/mol
Exact mass
472.1222 Da
Melting point
210–212 °C
logP
7.49Crippen estimate
Polar surface area
42.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Identifiers

CAS number
2030-63-9
SMILES
CC(C)N=c1cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1
InChIKey
WDQPAMHFFCXSNU-UHFFFAOYSA-N
InChI
InChI=1S/C27H22Cl2N4/c1-17(2)30-24-16-27-25(15-23(24)31-20-11-7-18(28)8-12-20)32-22-5-3-4-6-26(22)33(27)21-13-9-19(29)10-14-21/h3-17,31H,1-2H3

Weigh it out

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

Names and synonyms

14 names · show all
  • 2-Phenazinamine, N,5-bis(4-chlorophenyl)-3,5-dihydro-3-[(1-methylethyl)imino]-
  • Phenazine, 3-(p-chloroanilino)-10-(p-chlorophenyl)-2,10-dihydro-2-(isopropylimino)-
  • N,5-Bis(4-chlorophenyl)-3,5-dihydro-3-[(1-methylethyl)imino]-2-phenazinamine
  • G 30320
  • 3-(p-Chloroanilino)-10-(p-chlorophenyl)-2,10-dihydro-2-(isopropylimino)phenazine
  • B 663 (Pharmaceutical)
  • B 663
  • Chlofazimine
  • 2-(4-Chloroanilino)-3-isopropylimino-5-(4-chlorophenyl)-3,5-dihydrophenazine
  • 2-p-Chloroanilino-5-p-chlorophenyl-3,5-dihydro-3-isopropyliminophenazine
  • Lampren
  • Hansepran
  • Lamprene
  • NSC 141046

Work with Clofazimine

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

N,5-Bis(4-chlorophenyl)-3-imino-3,5-dihydrophenazin-2-amine102262-55-566 % similar N1-(4-Chlorophenyl)-1,2-benzenediamine68817-71-030 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook