3-[(2-fluorophenyl)formamido]-N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)propanamide

• ChemBase ID: 844728
• Molecular Formular: C19H23FN2O4
• Molecular Mass: 362.3953232
• Monoisotopic Mass: 362.16418545
• SMILES: c1(C(=O)NCCC(=O)N(Cc2occc2)C(CO)CC)c(F)cccc1
• Canonical SMILES: CCC(N(C(=O)CCNC(=O)c1ccccc1F)Cc1ccco1)CO
• InChI: InChI=1S/C19H23FN2O4/c1-2-14(13-23)22(12-15-6-5-11-26-15)18(24)9-10-21-19(25)16-7-3-4-8-17(16)20/h3-8,11,14,23H,2,9-10,12-13H2,1H3,(H,21,25)
• InChIKey: YTBBSYQVNCKKMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(2-fluorophenyl)formamido]-N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)propanamide
• IUPAC Traditional name: 3-[(2-fluorophenyl)formamido]-N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)propanamide
• Synonyms: 2-fluoro-N-(3-{(2-furylmethyl)[1-(hydroxymethyl)propyl]amino}-3-oxopropyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.25361
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.5793847
• LogD (pH = 7.4): 1.5793843
• Log P: 1.5793848
• Molar Refractivity: 94.8877 cm^3
• Polarizability: 35.91913 Å^3
• Polar Surface Area: 82.78 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.08
• LOG S: -3.61
• Polar Surface Area: 82.78 Å^2
• Rotatable Bonds: 9