5-Chloro-N-[(2S)-3-(4-Fluorophenyl)-1-(4-Hydroxy-1-Piperidinyl)-1-Oxo-2-Propanyl]-1H-Indole-2-Carboxamide

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Properties Simple | Detailed

Formula C23H23ClFN3O3
IUPAC Name 5-chloro-n-[(1s)-1-[(4-fluorophenyl)methyl]-2-(4-hydroxy-1-piperidyl)-2-oxo-ethyl]-7h-indol-1-ium-7-ide-2-carboxamide
Molecular Mass 443.898 g·mol−1
Heat of Formation -556.3 ± 16.7 kJ·mol−1
Dipole Moment 5.05 ± 1.08 D
Volume 512.63 Å 3
Surface Area 426.9 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy 2.10 ± eV
Point Group Symmetry C1
Synonyms
  • 5-chloro-1h-indole-2-carboxylic acid [1-(4-fluorobenzyl)-2-(4-hydroxypiperidin-1yl)-2-oxoethyl]amide
  • 5-chloro-n-[(1s)-1-(4-fluorobenzyl)-2-(4-hydroxy-1-piperidyl)-2-keto-ethyl]-1h-indole-2-carboxamide
  • 5-chloro-n-[(1s)-1-[(4-fluorophenyl)methyl]-2-(4-hydroxy-1-piperidinyl)-2-oxoethyl]-1h-indole-2-carboxamide
  • 5-chloro-n-[(1s)-1-[(4-fluorophenyl)methyl]-2-(4-hydroxy-1-piperidyl)-2-oxo-ethyl]-1h-indole-2-carboxamide
  • 5-chloro-n-[(2s)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxo-propan-2-yl]-1h-indole-2-carboxamide
  • 5-chloro-n-[(2s)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1h-indole-2-carboxamide
  • chi
InChIKey YDCGVASFVACWKF-NRFANRHFSA-N
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Elements C F H Cl O N