N-[(2S,3R)-1-Benzyl-2-Methyl-3-Pyrrolidinyl]-5-Chloro-2-Methoxy-4-(Methylamino)Benzamide

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Properties Simple | Detailed

Formula C21H26ClN3O2
IUPAC Name n-[(2s,3r)-1-benzyl-2-methyl-pyrrolidin-3-yl]-5-chloro-2-methoxy-4-(methylamino)benzamide
Molecular Mass 387.903 g·mol−1
Heat of Formation -212.4 ± 16.7 kJ·mol−1
Dipole Moment 5.17 ± 1.08 D
Volume 473.21 Å 3
Surface Area 406.47 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
Synonyms
  • 5-chloro-2-methoxy-4-methylamino-n-[(2s,3r)-2-methyl-1-(phenylmethyl)-3-pyrrolidinyl]benzamide
  • 5-chloro-2-methoxy-4-methylamino-n-[(2s,3r)-2-methyl-1-(phenylmethyl)pyrrolidin-3-yl]benzamide
  • n-[(2s,3r)-1-(benzyl)-2-methyl-pyrrolidin-3-yl]-5-chloro-2-methoxy-4-methylamino-benzamide
  • tocris-1746
InChIKey KRVOJOCLBAAKSJ-KBXCAEBGSA-N
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Elements H C N O Cl