[3-(Aminomethyl)-3-Hydroxy-1-Azetidinyl]{3,4-Difluoro-2-[(2-Fluoro-4-Iodophenyl)Amino]Phenyl}Methanone

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Formula C17H15F3IN3O2
IUPAC Name [3-(aminomethyl)-3-hydroxy-azetidin-1-yl]-[3,4-difluoro-2-(2-fluoro-4-iodo-anilino)phenyl]methanone
Molecular Mass 477.220 g·mol−1
Heat of Formation -554.1 ± 16.7 kJ·mol−1
Dipole Moment 6.13 ± 1.08 D
Volume 421.21 Å 3
Surface Area 371.19 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
Synonyms
  • [3-(aminomethyl)-3-hydroxy-1-azetidinyl]-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl]methanone
  • [3-(aminomethyl)-3-hydroxy-azetidin-1-yl]-[3,4-difluoro-2-[(2-fluoro-4-iodo-phenyl)amino]phenyl]methanone
InChIKey GLTAPZSWBNABCW-UHFFFAOYSA-N
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