N-({(2S)-1-[(3R)-3-Amino-4-(2-Fluorophenyl)Butanoyl]-2-Pyrrolidinyl}Methyl)Benzamide

Molecule SVG Image

Properties Simple | Detailed

Formula C22H26FN3O2
IUPAC Name n-[[(2s)-1-[(3r)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]benzamide
Molecular Mass 383.459 g·mol−1
Heat of Formation -412.3 ± 16.7 kJ·mol−1
Dipole Moment 3.00 ± 1.08 D
Volume 472.28 Å 3
Surface Area 415.12 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy 2.77 ± eV
Point Group Symmetry C1
Synonyms
  • n-({(2s)-1-[(3r)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl}methyl)benzamide
  • n-[[(2s)-1-[(3r)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl]benzamide
InChIKey ANQHSFFUNMTTRS-MOPGFXCFSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C F O N