0M1

N-{[(4S,5S)-5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl}-N'-(4-chloro-3-fluorophenyl)ethanediamide



Chemical Component Summary

NameN-{[(4S,5S)-5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl}-N'-(4-chloro-3-fluorophenyl)ethanediamide
IdentifiersN-[[(4S,5S)-5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-N'-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide
FormulaC15 H19 Cl F N3 O4
Molecular Weight359.78
TypeNON-POLYMER
Isomeric SMILESCC1(O[C@H]([C@@H](O1)CNC(=O)C(=O)Nc2ccc(c(c2)F)Cl)CN)C
InChIInChI=1S/C15H19ClFN3O4/c1-15(2)23-11(6-18)12(24-15)7-19-13(21)14(22)20-8-3-4-9(16)10(17)5-8/h3-5,11-12H,6-7,18H2,1-2H3,(H,19,21)(H,20,22)/t11-,12-/m0/s1
InChIKeyKUDYRECLZBUMDK-RYUDHWBXSA-N

Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count2
Bond Count44
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 46198837
ChEMBL CHEMBL1645270