N'-{(2S,3R)-1-(3,5-Difluorophenyl)-3-Hydroxy-4-[(3-Iodobenzyl)Amino]-2-Butanyl}-5-Methyl-N,N-Dipropylisophthalamide

Molecule SVG Image

Properties Simple | Detailed

Formula C32H38F2IN3O3
IUPAC Name n1-[(1s,2r)-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-3-[(3-iodophenyl)methylamino]propyl]-5-methyl-n3,n3-dipropyl-benzene-1,3-dicarboxamide
Molecular Mass 677.564 g·mol−1
Heat of Formation -773.6 ± 16.7 kJ·mol−1
Dipole Moment 8.60 ± 1.08 D
Volume 735.46 Å 3
Surface Area 578.42 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -1.20 ± eV
Point Group Symmetry C1
Synonyms
  • f2i
  • n-[(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-iodobenzyl)amino]propyl]-5-methyl-n',n'-dipropyl-isophthalamide
  • n-[(1s,2r)-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-3-[(3-iodophenyl)methylamino]propyl]-5-methyl-n',n'-dipropyl-benzene-1,3-dicarboxamide
  • n-[(1s,2r)-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-3-[(3-iodophenyl)methylamino]propyl]-5-methyl-n',n'-dipropylbenzene-1,3-dicarboxamide
  • n-[(2s,3r)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-iodophenyl)methylamino]butan-2-yl]-5-methyl-n',n'-dipropyl-benzene-1,3-dicarboxamide
  • n-[(2s,3r)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-iodophenyl)methylamino]butan-2-yl]-5-methyl-n',n'-dipropylbenzene-1,3-dicarboxamide
InChIKey FSQSHDXWJKXBPP-XZWHSSHBSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F I H O N