N-{2-[(3R)-6-Chloro-1'-{[(3S,4R)-4-(2,4-Difluorophenyl)-1-(2-Methyl-2-Propanyl)-3-Pyrrolidinyl]Carbonyl}-5-Methyl-2,3-Dihydrospiro[Indene-1,4'-Piperidin]-3-Yl]-2-Propanyl}Acetamide

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Properties Simple | Detailed

Formula C34H44ClF2N3O2
IUPAC Name n-[1-[(1r)-1'-[(3s,4r)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5-chloro-6-methyl-spiro[indane-3,4'-piperidine]-1-yl]-1-methyl-ethyl]acetamide
Molecular Mass 600.182 g·mol−1
Heat of Formation -844.6 ± 16.7 kJ·mol−1
Dipole Moment 7.21 ± 1.08 D
Volume 728.75 Å 3
Surface Area 570.42 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
Synonyms
  • n-[1-[(1r)-1'-[(3s,4r)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5-chloro-6-methyl-spiro[indane-3,4'-piperidine]-1-yl]-1-methyl-ethyl]acetamide
  • n-[1-[(1r)-1'-[[(3s,4r)-1-tert-butyl-4-(2,4-difluorophenyl)-3-pyrrolidinyl]-oxomethyl]-5-chloro-6-methyl-1-spiro[indane-3,4'-piperidine]yl]-1-methylethyl]acetamide
  • n-[2-[(1r)-1'-[(3s,4r)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]carbonyl-5-chloro-6-methyl-spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propan-2-yl]ethanamide
  • n-[2-[(1r)-1'-[(3s,4r)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5-chloro-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propan-2-yl]acetamide
InChIKey KMNARKQYUZICHM-ZRRKCSAHSA-N
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