5-[3-(benzyloxy)propyl]-2-fluorobenzamide

• ChemBase ID: 447317
• Molecular Formular: C17H18FNO2
• Molecular Mass: 287.3287232
• Monoisotopic Mass: 287.13215704
• SMILES: c1(C(=O)N)c(ccc(c1)CCCOCc1ccccc1)F
• Canonical SMILES: NC(=O)c1cc(CCCOCc2ccccc2)ccc1F
• InChI: InChI=1S/C17H18FNO2/c18-16-9-8-13(11-15(16)17(19)20)7-4-10-21-12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11H,4,7,10,12H2,(H2,19,20)
• InChIKey: ZYEHYBLBASNFAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[3-(benzyloxy)propyl]-2-fluorobenzamide
• IUPAC Traditional name: 5-[3-(benzyloxy)propyl]-2-fluorobenzamide
• Synonyms: 5-[3-(benzyloxy)propyl]-2-fluorobenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.8389435
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.3000677
• LogD (pH = 7.4): 3.300069
• Log P: 3.3000677
• Molar Refractivity: 80.8885 cm^3
• Polarizability: 30.387457 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.16
• LOG S: -3.99
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 7