3-Bromo-N-{[(2S)-1-Ethyl-2-Pyrrolidinyl]Methyl}-5,6-Dihydroxy-2-Methoxybenzamide

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Properties Simple | Detailed

Formula C15H21BrN2O4
IUPAC Name 5-bromo-n-[[(1r,2s)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dihydroxy-6-methoxy-benzamide
Molecular Mass 373.242 g·mol−1
Heat of Formation -616.2 ± 16.7 kJ·mol−1
Dipole Moment 2.99 ± 1.08 D
Volume 392.94 Å 3
Surface Area 334.44 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy 2.27 ± eV
Point Group Symmetry C1
Synonyms
  • 5 bromo-n-((1-ethyl-2-pyrrolidinyl)methyl)-2,3-dihydroxy-6-methoxybenzamide semioxalate
  • 5-bromo-n-[[(2s)-1-ethyl-2-pyrrolidinyl]methyl]-2,3-dihydroxy-6-methoxybenzamide
  • 5-bromo-n-[[(2s)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dihydroxy-6-methoxy-benzamide
  • 5-bromo-n-[[(2s)-1-ethylpyrrolidin-2-yl]methyl]-2,3-dihydroxy-6-methoxybenzamide
  • benzamide, 3-bromo-n-((1-ethyl-2-pyrrolidinyl)methyl)-5,6-dihydroxy-2-methoxy-, (s)-
  • ncq 436
  • ncq-436
CAS Number(s)
  • 148460-80-4
InChIKey RJMFJSBUCRXRGR-VIFPVBQESA-N
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Elements H C O Br N