3,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-N-(2-hydroxy-ethoxy)-5-(methoxyamino-methyl)-benzamide

Update Time: 2025-04-25 16:33:36

	Common Name	3,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-N-(2-hydroxy-ethoxy)-5-(methoxyamino-methyl)-benzamide	English Name	3,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-N-(2-hydroxy-ethoxy)-5-(methoxyamino-methyl)-benzamide
	CAS NO.	N/A	Molecular Weight	511.23
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₁₇H₁₇F₃IN₃O₄	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	3,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-N-(2-hydroxy-ethoxy)-5-(methoxyamino-methyl)-benzamide

Molecular Formula	C17H17F3IN3O4
Molecular Weight	511.23
Exact Mass	511.02159
LogP	3.00
Standard SMILES	CONCc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F
Canonical SMILES	CONCC1=CC(=C(C(=C1F)F)NC2=C(C=C(C=C2)I)F)C(=O)NOCCO
Isomeric SMILES	CONCC1=CC(=C(C(=C1F)F)NC2=C(C=C(C=C2)I)F)C(=O)NOCCO
Standard InChI Identifier	InChI=1S/C17H17F3IN3O4/c1-27-22-8-9-6-11(17(26)24-28-5-4-25)16(15(20)14(9)19)23-13-3-2-10(21)7-12(13)18/h2-3,6-7,22-23,25H,4-5,8H2,1H3,(H,24,26)
Standard InChI Key	HOVDQMQICNYYLL-UHFFFAOYSA-N
Compound Complexity	497.00
computational chemistry	Hydrogen Bond Acceptor Count：9 Hydrogen Bond Donor Count：4 Rotatable Bond Count：9 Heavy Atom Count：28 Total Chiral Atom Count：0 Defined Chiral Atom Count：0 Undefined Chiral Atom Count：0 Total Chiral Bond Count：0 Defined Chiral Bond Count：0 Undefined Chiral Bond Count：0 Isotope Atom Count：0 Covalent Unit Count：1 Tautomer Count：-1 Monoisotopic Mass：511.02159