N-{[(2R)-1-(4-Fluorobenzyl)-2-Pyrrolidinyl]Methyl}-5-(~123~I)Iodo-2,3-Dimethoxybenzamide

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Properties Simple | Detailed

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 -444.6 ± 16.7 kJ·mol−1
Dipole Moment 1.46 ± 1.08 D
Volume 496.24 Å 3
Surface Area 395.26 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
Synonyms
  • (r)-n-((1-((4-fluorophenyl)methyl)-2-pyrrolidinyl)methyl)-5-(iodo-123i)-2,3-dimethoxybenzamide
  • 2,3-dimethoxy-5-iodo-n-((1-(4'-fluorobenzyl)-2-pyrrolidinyl)methyl)benzamide
  • benzamide, n-((1-((4-fluorophenyl)methyl)-2-pyrrolidinyl)methyl)-5-(iodo-123i)-2,3-dimethoxy-, (r)-
  • fida2
CAS Number(s)
  • 124929-08-4
InChIKey NTCPWJJOPLDDTG-QUHMGXBXSA-N
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