Roflumilast

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Properties Simple | Detailed

Formula C17H15Cl2F2N2O3
IUPAC Name 3-(cyclopropylmethoxy)-n-(3,5-dichloropyridin-1-ium-5-id-4-yl)-4-(difluoromethoxy)benzamide
Molecular Mass 404.215 g·mol−1
Heat of Formation -668.6 ± 16.7 kJ·mol−1
Dipole Moment 4.94 ± 1.08 D
Volume 419.96 Å 3
Surface Area 371.04 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy 1.96 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(cyclopropylmethoxy)-n-(3,5-dichloro-4-pyridyl)-4-(difluoromethoxy)benzamide
  • 3-(cyclopropylmethoxy)-n-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide
  • 3-cyclopropylmethoxy-n-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide
  • apta-2217
  • b9302-107
  • benzamide, 3-(cyclopropylmethoxy)-n-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-
  • by-217
  • by217
  • byk20869
  • d05744
  • daxas
  • rof
  • roflumilast (jan/usan)
CAS Number(s)
  • 162401-32-3
InChIKey MNDBXUUTURYVHR-UHFFFAOYSA-N
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Elements C F H Cl O N