Methyl N-Benzoyl-N-(3-Chloro-4-Fluorophenyl)-L-Alaninate

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Properties Simple | Detailed

Formula C17H15ClFNO3
IUPAC Name methyl (2s)-2-(n-benzoyl-3-chloro-4-fluoro-anilino)propanoate
Molecular Mass 335.757 g·mol−1
Heat of Formation -566.5 ± 16.7 kJ·mol−1
Dipole Moment 1.50 ± 1.08 D
Volume 381.35 Å 3
Surface Area 317.47 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[(3-chloro-4-fluorophenyl)-(oxo-phenylmethyl)amino]propanoic acid methyl ester
  • (2s)-2-[benzoyl-(3-chloro-4-fluoro-phenyl)amino]propionic acid methyl ester
  • methyl (2s)-2-[(3-chloro-4-fluoro-phenyl)-phenylcarbonyl-amino]propanoate
  • methyl (2s)-2-[benzoyl-(3-chloro-4-fluoro-phenyl)amino]propanoate
  • methyl (2s)-2-[benzoyl-(3-chloro-4-fluorophenyl)amino]propanoate
InChIKey RBNIGDFIUWJJEV-NSHDSACASA-N
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Elements C F H Cl O N