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

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Properties Simple | Detailed

Formula C34H41F2N3O4
IUPAC Name n1-[(1s,2r)-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-2-[(2r,4r)-4-phenoxypyrrolidin-2-yl]ethyl]-5-methyl-n3,n3-dipropyl-benzene-1,3-dicarboxamide
Molecular Mass 593.704 g·mol−1
Heat of Formation -1009.3 ± 16.7 kJ·mol−1
Dipole Moment 2.97 ± 1.08 D
Volume 741.19 Å 3
Surface Area 497.95 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(1r,2s)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2r,4r)-4-(phenoxy)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-(phenoxy)pyrrolidin-2-yl]propan-2-yl]-5-methyl-n',n'-dipropylbenzene-1,3-dicarboxamide
  • n-[(1s,2r)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2r,4r)-4-(phenoxy)pyrrolidin-2-yl]ethyl]-5-methyl-n',n'-dipropyl-isophthalamide
  • n-[(1s,2r)-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-2-[(2r,4r)-4-(phenoxy)-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-(phenoxy)pyrrolidin-2-yl]ethyl]-5-methyl-n',n'-dipropyl-benzene-1,3-dicarboxamide
InChIKey YDCNYSQITCUGST-FEFKUCBWSA-N
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