2-{6-Chloro-3-[(2,2-Difluoro-2-Phenylethyl)Amino]-2-Fluorophenyl}-N-(2-{[(Diaminomethylene)Amino]Oxy}Ethyl)Acetamide

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Properties Simple | Detailed

Formula C19H21ClF3N5O2
IUPAC Name 2-[6-chloro-3-[(2,2-difluoro-2-phenyl-ethyl)amino]-2-fluoro-phenyl]-n-(2-guanidinooxyethyl)acetamide
Molecular Mass 443.851 g·mol−1
Heat of Formation -688.7 ± 16.7 kJ·mol−1
Dipole Moment 3.76 ± 1.08 D
Volume 481.23 Å 3
Surface Area 407.86 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy 2.44 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[6-chloro-3-[(2,2-difluoro-2-phenyl-ethyl)amino]-2-fluoro-phenyl]-n-(2-guanidinooxyethyl)acetamide
  • 2-[6-chloro-3-[(2,2-difluoro-2-phenyl-ethyl)amino]-2-fluoro-phenyl]-n-[2-(diaminomethylideneamino)oxyethyl]ethanamide
  • 2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]-n-(2-guanidinooxyethyl)acetamide
InChIKey DZEJHPMTDNDECN-UHFFFAOYSA-N
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Elements C F H Cl O N