3-[(2-fluorophenyl)formamido]-N-[2-(2-hydroxyethoxy)ethyl]propanamide

• ChemBase ID: 490956
• Molecular Formular: C14H19FN2O4
• Molecular Mass: 298.3100632
• Monoisotopic Mass: 298.13288532
• SMILES: c1(C(=O)NCCC(=O)NCCOCCO)c(F)cccc1
• Canonical SMILES: OCCOCCNC(=O)CCNC(=O)c1ccccc1F
• InChI: InChI=1S/C14H19FN2O4/c15-12-4-2-1-3-11(12)14(20)17-6-5-13(19)16-7-9-21-10-8-18/h1-4,18H,5-10H2,(H,16,19)(H,17,20)
• InChIKey: VZCXDLZELGXVHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(2-fluorophenyl)formamido]-N-[2-(2-hydroxyethoxy)ethyl]propanamide
• IUPAC Traditional name: 3-[(2-fluorophenyl)formamido]-N-[2-(2-hydroxyethoxy)ethyl]propanamide
• Synonyms: 2-fluoro-N-(3-{[2-(2-hydroxyethoxy)ethyl]amino}-3-oxopropyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.236204
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.41508397
• LogD (pH = 7.4): -0.41508448
• Log P: -0.41508391
• Molar Refractivity: 75.0882 cm^3
• Polarizability: 28.370565 Å^3
• Polar Surface Area: 87.66 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -0.06
• LOG S: -2.63
• Polar Surface Area: 87.66 Å^2
• Rotatable Bonds: 9