1-(5-Chloro-2-{2-[(2R)-4-(4-Fluorobenzyl)-2-Methyl-1-Piperazinyl]-2-Oxoethoxy}Phenyl)Urea

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Properties Simple | Detailed

Formula C21H24ClFN4O3
IUPAC Name [5-chloro-2-[2-[(2r,4s)-4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]-2-oxo-ethoxy]phenyl]urea
Molecular Mass 434.892 g·mol−1
Heat of Formation -566.9 ± 16.7 kJ·mol−1
Dipole Moment 9.10 ± 1.08 D
Volume 498.82 Å 3
Surface Area 423.76 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
Synonyms
  • [5-chloro-2-[2-[(2r)-4-(4-fluorobenzyl)-2-methyl-piperazin-1-yl]-2-keto-ethoxy]phenyl]urea
  • [5-chloro-2-[2-[(2r)-4-[(4-fluorophenyl)methyl]-2-methyl-1-piperazinyl]-2-oxoethoxy]phenyl]urea
  • [5-chloro-2-[2-[(2r)-4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]-2-oxo-ethoxy]phenyl]urea
  • [5-chloro-2-[2-[(2r)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-oxoethoxy]phenyl]urea
  • urea, n-[5-chloro-2-[2-[(2r)-4-[(4-fluorophenyl)methyl]-2-methyl-1-piperazinyl]-2-oxoethoxy]phenyl]-
InChIKey XQYASZNUFDVMFH-CQSZACIVSA-N
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Elements C F H Cl O N