3OS

2-[(4-ethynyl-2-fluorophenyl)amino]-3,4-difluoro-N-(2-hydroxyethoxy)-5-{[(2-hydroxyethoxy)imino]methyl}benzamide


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Chemical Component Summary

Name2-[(4-ethynyl-2-fluorophenyl)amino]-3,4-difluoro-N-(2-hydroxyethoxy)-5-{[(2-hydroxyethoxy)imino]methyl}benzamide
Identifiers2-[(4-ethynyl-2-fluoro-phenyl)amino]-3,4-difluoro-N-(2-hydroxyethoxy)-5-(2-hydroxyethoxyiminomethyl)benzamide
FormulaC20 H18 F3 N3 O5
Molecular Weight437.369
TypeNON-POLYMER
Isomeric SMILESC#Cc1ccc(c(c1)F)Nc2c(cc(c(c2F)F)C=NOCCO)C(=O)NOCCO
InChIInChI=1S/C20H18F3N3O5/c1-2-12-3-4-16(15(21)9-12)25-19-14(20(29)26-31-8-6-28)10-13(17(22)18(19)23)11-24-30-7-5-27/h1,3-4,9-11,25,27-28H,5-8H2,(H,26,29)/b24-11+
InChIKeyNLXYHBBGDADWQY-BHGWPJFGSA-N

Chemical Details

Formal Charge0
Atom Count49
Chiral Atom Count0
Bond Count50
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 11430524
ChEMBL CHEMBL1684486