3-Chloro-5-Ethyl-N-{[(2S,4S)-1-Ethyl-4-Fluoro-2-Pyrrolidinyl]Methyl}-6-Hydroxy-2-Methoxybenzamide

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Properties Simple | Detailed

Formula C17H24ClFN2O3
IUPAC Name 5-chloro-3-ethyl-n-[[(1r,2s,4s)-1-ethyl-4-fluoro-pyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxy-benzamide
Molecular Mass 358.835 g·mol−1
Heat of Formation -788.1 ± 16.7 kJ·mol−1
Dipole Moment 3.79 ± 1.08 D
Volume 422.17 Å 3
Surface Area 359.45 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • 3-chloro-5-ethyl-n-((1-ethyl-2-(4-fluoropyrrolidinyl))methyl)-6-hydroxy-2-methoxybenzamide
  • 4-fluoroeticlopride
  • 5-chloro-3-ethyl-n-[[(2s,4s)-1-ethyl-4-fluoro-2-pyrrolidinyl]methyl]-2-hydroxy-6-methoxybenzamide
  • 5-chloro-3-ethyl-n-[[(2s,4s)-1-ethyl-4-fluoro-pyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxy-benzamide
  • 5-chloro-3-ethyl-n-[[(2s,4s)-1-ethyl-4-fluoropyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide
  • benzamide, 3-chloro-5-ethyl-n-((1-ethyl-4-fluoro-2-pyrrolidinyl)methyl)-6-hydroxy-2-methoxy-, (2s-cis)-
CAS Number(s)
  • 140161-12-2
InChIKey YTQYESASLXVXHN-RYUDHWBXSA-N
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