Methyl 3-Chloro-3'-Fluoro-4'-{(1R)-1-[({1-[(Trifluoroacetyl)Amino]Cyclopropyl}Carbonyl)Amino]Ethyl}-2-Biphenylcarboxylate

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Formula C22H19ClF4N2O4
IUPAC Name methyl 2-chloro-6-[3-fluoro-4-[(1r)-1-[[1-[(2,2,2-trifluoroacetyl)amino]cyclopropanecarbonyl]amino]ethyl]phenyl]benzoate
Molecular Mass 486.844 g·mol−1
Heat of Formation -1291.4 ± 16.7 kJ·mol−1
Dipole Moment 7.47 ± 1.08 D
Volume 539.68 Å 3
Surface Area 415.61 Å 2
HOMO Energy -9.87 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • 2-chloro-6-[3-fluoro-4-[(1r)-1-[[1-[(2,2,2-trifluoroacetyl)amino]cyclopropanecarbonyl]amino]ethyl]phenyl]benzoic acid methyl ester
  • 2-chloro-6-[3-fluoro-4-[(1r)-1-[[oxo-[1-[(2,2,2-trifluoro-1-oxoethyl)amino]cyclopropyl]methyl]amino]ethyl]phenyl]benzoic acid methyl ester
  • methyl 2-chloro-6-[3-fluoro-4-[(1r)-1-[[1-(2,2,2-trifluoroethanoylamino)cyclopropyl]carbonylamino]ethyl]phenyl]benzoate
InChIKey WZZIQHIQMWJNLU-LLVKDONJSA-N
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Elements C F H Cl O N