1-{Butyl[(4-Chlorophenyl)Carbamoyl]Amino}-N-[3-Fluoro-2'-(Methylsulfonyl)-4-Biphenylyl]Cyclopropanecarboxamide

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Properties Simple | Detailed

Formula C28H29ClFN3O4S
IUPAC Name 1-[butyl-[(4-chlorophenyl)carbamoyl]amino]-n-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]cyclopropanecarboxamide
Molecular Mass 558.064 g·mol−1
Heat of Formation -605.4 ± 16.7 kJ·mol−1
Dipole Moment 5.32 ± 1.08 D
Volume 634.03 Å 3
Surface Area 527.17 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[butyl-[(4-chlorophenyl)carbamoyl]amino]-n-[2-fluoro-4-(2-mesylphenyl)phenyl]cyclopropane-1-carboxamide
  • 1-[butyl-[(4-chlorophenyl)carbamoyl]amino]-n-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]cyclopropane-1-carboxamide
  • 1-[butyl-[[(4-chlorophenyl)amino]-oxomethyl]amino]-n-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1-cyclopropanecarboxamide
  • fxi
InChIKey YZDZQPIVASXYKY-UHFFFAOYSA-N
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Elements C Cl H F O N S