N'-[(1R,2S)-1-[(2R,4R)-4-(Benzyloxy)-2-Pyrrolidinyl]-3-(3,5-Difluorophenyl)-1-Hydroxy-2-Propanyl]-5-Methyl-N,N-Dipropylisophthalamide

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Properties Simple | Detailed

Formula C35H43F2N3O4
IUPAC Name n3-[(1s,2r)-2-[(2r,4r)-4-benzyloxypyrrolidin-2-yl]-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-ethyl]-5-methyl-n1,n1-dipropyl-benzene-1,3-dicarboxamide
Molecular Mass 607.730 g·mol−1
Heat of Formation -1032.0 ± 16.7 kJ·mol−1
Dipole Moment 2.73 ± 1.08 D
Volume 764.22 Å 3
Surface Area 548.86 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy 2.51 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(1r,2s)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2r,4r)-4-(phenylmethoxy)pyrrolidin-2-yl]propan-2-yl]-5-methyl-n',n'-dipropyl-benzene-1,3-dicarboxamide
  • n-[(1r,2s)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2r,4r)-4-(phenylmethoxy)pyrrolidin-2-yl]propan-2-yl]-5-methyl-n',n'-dipropylbenzene-1,3-dicarboxamide
  • n-[(1s,2r)-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-2-[(2r,4r)-4-(phenylmethoxy)-2-pyrrolidinyl]ethyl]-5-methyl-n',n'-dipropylbenzene-1,3-dicarboxamide
  • n-[(1s,2r)-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-2-[(2r,4r)-4-(phenylmethoxy)pyrrolidin-2-yl]ethyl]-5-methyl-n',n'-dipropyl-benzene-1,3-dicarboxamide
  • n-[(1s,2r)-2-[(2r,4r)-4-(benzyloxy)pyrrolidin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxy-ethyl]-5-methyl-n',n'-dipropyl-isophthalamide
InChIKey GZHSLBYVXGDJDF-NXVJRICRSA-N
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