(2S)-4-(2,5-Difluorophenyl)-N-[(3R,4S)-3-Fluoro-1-Methyl-4-Piperidinyl]-2-(Hydroxymethyl)-N-Methyl-2-Phenyl-2,5-Dihydro-1H-Pyrrole-1-Carboxamide

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Properties Simple | Detailed

Formula C25H28F3N3O2
IUPAC Name (5s)-3-(2,5-difluorophenyl)-n-[(3r,4s)-3-fluoro-1-methyl-4-piperidyl]-5-(hydroxymethyl)-n-methyl-5-phenyl-2h-pyrrole-1-carboxamide
Molecular Mass 459.504 g·mol−1
Heat of Formation -649.7 ± 16.7 kJ·mol−1
Dipole Moment 4.29 ± 1.08 D
Volume 539.47 Å 3
Surface Area 433.33 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy 2.18 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-4-(2,5-difluorophenyl)-n-[(3r,4s)-3-fluoro-1-methyl-4-piperidinyl]-2-(hydroxymethyl)-n-methyl-2-phenyl-5h-pyrrole-1-carboxamide
  • (2s)-4-(2,5-difluorophenyl)-n-[(3r,4s)-3-fluoro-1-methyl-4-piperidyl]-2-(hydroxymethyl)-n-methyl-2-phenyl-5h-pyrrole-1-carboxamide
  • (2s)-4-(2,5-difluorophenyl)-n-[(3r,4s)-3-fluoro-1-methyl-4-piperidyl]-n-methyl-2-methylol-2-phenyl-3-pyrroline-1-carboxamide
  • (2s)-4-(2,5-difluorophenyl)-n-[(3r,4s)-3-fluoro-1-methyl-piperidin-4-yl]-2-(hydroxymethyl)-n-methyl-2-phenyl-5h-pyrrole-1-carboxamide
InChIKey MYBGWENAVMIGMM-GIFXNVAJSA-N
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