5-Chloro-N-[(2S,3R)-4-(Dimethylamino)-3-Hydroxy-4-Oxo-1-Phenyl-2-Butanyl]-1H-Indole-2-Carboxamide

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Properties Simple | Detailed

Formula C21H22ClN3O3
IUPAC Name n-[(1s,2r)-1-benzyl-3-(dimethylamino)-2-hydroxy-3-oxo-propyl]-5-chloro-indol-1-ium-2-ylium-2-carboxamide
Molecular Mass 399.871 g·mol−1
Heat of Formation -352.0 ± 16.7 kJ·mol−1
Dipole Moment 2.12 ± 1.08 D
Volume 468.45 Å 3
Surface Area 401.11 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
Synonyms
  • 5-chloro-n-[(1s,2r)-3-dimethylamino-2-hydroxy-3-oxo-1-(phenylmethyl)propyl]-1h-indole-2-carboxamide
  • 5-chloro-n-[(2s,3r)-4-dimethylamino-3-hydroxy-4-oxo-1-phenyl-butan-2-yl]-1h-indole-2-carboxamide
  • 5-chloro-n-[(2s,3r)-4-dimethylamino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1h-indole-2-carboxamide
  • n-[(1s,2r)-1-(benzyl)-3-dimethylamino-2-hydroxy-3-keto-propyl]-5-chloro-1h-indole-2-carboxamide
InChIKey HINJNZFCMLSBCI-PKOBYXMFSA-N
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Elements H C N O Cl