Name: Name:3,4-Difluoro-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)benzamide
Brand: Angene
SKU: AG01EMWQ
Rating: 90 (10 reviews)

3,4-Difluoro-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)benzamide

CAS No.:

391209-55-5

Catalog Number:

AG01EMWQ

Molecular Formula:

C15H12F3IN2O3

Molecular Weight:

452.1671

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Purity

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Product Description

Catalog Number:

AG01EMWQ

Chemical Name:

3,4-Difluoro-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)benzamide

CAS Number:

391209-55-5

Molecular Formula:

C15H12F3IN2O3

Molecular Weight:

452.1671

IUPAC Name:

3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide

InChI:

InChI=1S/C15H12F3IN2O3/c16-10-3-2-9(15(23)21-24-6-5-22)14(13(10)18)20-12-4-1-8(19)7-11(12)17/h1-4,7,20,22H,5-6H2,(H,21,23)

InChI Key:

GQAZGSHVSAGDOJ-UHFFFAOYSA-N

SMILES:

OCCONC(=O)c1ccc(c(c1Nc1ccc(cc1F)I)F)F

Properties

Complexity:

421

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

451.984g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

452.172g/mol

Monoisotopic Mass:

451.984g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

70.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6

Literature

Title	Journal
The discovery of the benzhydroxamate MEK inhibitors CI-1040 and PD 0325901.	Bioorganic & medicinal chemistry letters 20081215
4-anilino-5-carboxamido-2-pyridone derivatives as noncompetitive inhibitors of mitogen-activated protein kinase kinase.	Journal of medicinal chemistry 20071018