N-{[(2S)-1-Ethyl-2-Pyrrolidinyl]Methyl}-5-Iodo-2,3-Dihydro-1-Benzofuran-7-Carboxamide

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Properties Simple | Detailed

Formula C16H21IN2O2
IUPAC Name n-[[(1r,2s)-1-ethylpyrrolidin-2-yl]methyl]-5-iodo-2,3-dihydrobenzofuran-7-carboxamide
Molecular Mass 400.255 g·mol−1
Heat of Formation -214.9 ± 16.7 kJ·mol−1
Dipole Moment 6.83 ± 1.08 D
Volume 386.77 Å 3
Surface Area 341.09 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • 125i-ibf
  • 5-iodo-7-n-((1-ethyl-2-pyrrolidinyl)methyl)carboxamido-2,3-dihydrobenzofuran
  • 5-iodo-n-((1-ethyl-2-pyrrolidinyl)methyl)-2,3-dihydrobenzofurancarboxamide
  • 7-benzofurancarboxamide, n-((1-ethyl-2-pyrrolidynyl)methyl)-2,3-dihydro-5-iodo-, (s)-
  • iodine-123-ibf
  • n-[[(2s)-1-ethyl-2-pyrrolidinyl]methyl]-5-iodo-2,3-dihydrobenzofuran-7-carboxamide
  • n-[[(2s)-1-ethylpyrrolidin-2-yl]methyl]-5-iodo-2,3-dihydrobenzofuran-7-carboxamide
CAS Number(s)
  • 123266-61-5
InChIKey SXAMDWYVBFWJLU-ZDUSSCGKSA-N
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