Nombre: 3,4-difluoro-2-(2-fluoro-4-iodoanilino)-5-formyl-N-(2-hydroxyethoxy)benzamide

SMILES: C1=CC(=C(C=C1I)F)NC2=C(C=C(C(=C2F)F)C=O)C(=O)NOCCO

Molecular Processing

Molecular formula

C16H12F3IN2O4

Molecular weight

480.18

Exact mass

479.9794

XLogP

2.92

TPSA

87.66

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.125

Molar refractivity

94.65

Supplementary Information

InChIKey: BFGDKTJAPMYQCY-UHFFFAOYSA-N

Sinónimos

SCHEMBL1561822BFGDKTJAPMYQCY-UHFFFAOYSA-N3,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-5-formyl-N-(2-hydroxy-ethoxy)-benzamide