N-{[(2R)-1-(4-Fluorobenzyl)-2-Pyrrolidinyl]Methyl}-5-Iodo-2,3-Dimethoxybenzamide

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Formula C21H24FIN2O3
IUPAC Name n-[[(1r,2r)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-5-iodo-2,3-dimethoxy-benzamide
Molecular Mass 498.330 g·mol−1
Heat of Formation -434.8 ± 16.7 kJ·mol−1
Dipole Moment 6.80 ± 1.08 D
Volume 496.45 Å 3
Surface Area 419.45 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
Synonyms
  • n-[[(2r)-1-(4-fluorobenzyl)pyrrolidin-2-yl]methyl]-5-iodo-2,3-dimethoxy-benzamide
  • n-[[(2r)-1-[(4-fluorophenyl)methyl]-2-pyrrolidinyl]methyl]-5-iodo-2,3-dimethoxybenzamide
  • n-[[(2r)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-5-iodo-2,3-dimethoxy-benzamide
  • n-[[(2r)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-5-iodo-2,3-dimethoxybenzamide
InChIKey NTCPWJJOPLDDTG-QGZVFWFLSA-N
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