3-Bromo-N-{[(2S)-1-Ethyl-2-Pyrrolidinyl]Methyl}-2-Hydroxy-6-Methoxybenzamide

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Properties Simple | Detailed

Formula C15H21BrN2O3
IUPAC Name 3-bromo-n-[[(1r,2s)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxy-benzamide
Molecular Mass 357.243 g·mol−1
Heat of Formation -450.4 ± 16.7 kJ·mol−1
Dipole Moment 3.29 ± 1.08 D
Volume 374.44 Å 3
Surface Area 333.56 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • 3-bromo-n-((1-ethyl-2-pyrrolidinyl)methyl)-2-hydroxy-6-methoxybenzamide
  • 3-bromo-n-[[(2s)-1-ethyl-2-pyrrolidinyl]methyl]-2-hydroxy-6-methoxybenzamide
  • 3-bromo-n-[[(2s)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxy-benzamide
  • 3-bromo-n-[[(2s)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide
  • benzamide, 3-bromo-n-((1-ethyl-2-pyrrolidinyl)methyl)-2-hydroxy-6-methoxy-, (s)-
  • fla 797
  • fla-797
  • pdsp2_000912
CAS Number(s)
  • 84226-14-2
InChIKey PWEZBNRZEHPIIQ-JTQLQIEISA-N
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Elements H C O Br N