chempirical

Roflumilast

C17H14Cl2F2N2O3CAS 162401-32-3403.21 g/mol

Open in Covalent MOL file
ONClHNClOFFO
Alkyl halideAryl halideEther

Properties

Molecular formula
C17H14Cl2F2N2O3
Molar mass
403.21 g/mol
Exact mass
402.0350 Da
Melting point
157–157.5 °C
logP
4.45Crippen estimate
Polar surface area
63.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
6

Identifiers

CAS number
162401-32-3
SMILES
O=C(N=c1c(Cl)c[nH]cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1
InChIKey
MNDBXUUTURYVHR-UHFFFAOYSA-N
InChI
InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24)

Weigh it out

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

Names and synonyms

9 names
  • Benzamide, 3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-
  • 3-(Cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide
  • BYK 20869
  • BY 217
  • B 9302-107
  • Daxas
  • Daliresp
  • ARQ 151
  • Libertek

Work with Roflumilast

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

3-Cyclopropylmethoxy-4-difluoromethoxybenzoic acid162401-62-957 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook