N-cyclopropyl-3-[2-(4-fluorophenoxy)ethyl]benzamide

• ChemBase ID: 739534
• Molecular Formular: C18H18FNO2
• Molecular Mass: 299.3394232
• Monoisotopic Mass: 299.13215704
• SMILES: C(=O)(NC1CC1)c1cc(CCOc2ccc(F)cc2)ccc1
• Canonical SMILES: Fc1ccc(cc1)OCCc1cccc(c1)C(=O)NC1CC1
• InChI: InChI=1S/C18H18FNO2/c19-15-4-8-17(9-5-15)22-11-10-13-2-1-3-14(12-13)18(21)20-16-6-7-16/h1-5,8-9,12,16H,6-7,10-11H2,(H,20,21)
• InChIKey: ILOPAUFCORBMDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-[2-(4-fluorophenoxy)ethyl]benzamide
• IUPAC Traditional name: N-cyclopropyl-3-[2-(4-fluorophenoxy)ethyl]benzamide
• Synonyms: N-cyclopropyl-3-[2-(4-fluorophenoxy)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.109549
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.5112915
• LogD (pH = 7.4): 3.5112917
• Log P: 3.5112917
• Molar Refractivity: 83.2915 cm^3
• Polarizability: 31.488539 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.15
• LOG S: -4.07
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 6