(2S)-4-(2,5-Difluorophenyl)-N-Methyl-2-Phenyl-N-Piperidin-4-Yl-2,5-Dihydro-1H-Pyrrole-1-Carboxamide

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Formula C23H25F2N3O
IUPAC Name (2s)-4-(2,5-difluorophenyl)-n-methyl-2-phenyl-n-(4-piperidyl)-2,5-dihydropyrrole-1-carboxamide
Molecular Mass 397.461 g·mol−1
Heat of Formation -282.8 ± 16.7 kJ·mol−1
Dipole Moment 2.03 ± 1.08 D
Volume 476.06 Å 3
Surface Area 403.78 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy 2.23 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-4-(2,5-difluorophenyl)-n-methyl-2-phenyl-n-(4-piperidinyl)-2,5-dihydropyrrole-1-carboxamide
  • (2s)-4-(2,5-difluorophenyl)-n-methyl-2-phenyl-n-(4-piperidyl)-2,5-dihydropyrrole-1-carboxamide
  • (2s)-4-(2,5-difluorophenyl)-n-methyl-2-phenyl-n-(4-piperidyl)-3-pyrroline-1-carboxamide
  • (2s)-4-(2,5-difluorophenyl)-n-methyl-2-phenyl-n-piperidin-4-yl-2,5-dihydropyrrole-1-carboxamide
InChIKey NKLVBHMAIMEVEH-QFIPXVFZSA-N
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