N-{[1-(2-fluorophenyl)cyclopentyl]methyl}-2-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)acetamide

• ChemBase ID: 515018
• Molecular Formular: C16H20FN5O
• Molecular Mass: 317.3613032
• Monoisotopic Mass: 317.16518851
• SMILES: n1(nnnc1C)CC(=O)NCC1(c2c(F)cccc2)CCCC1
• Canonical SMILES: O=C(Cn1nnnc1C)NCC1(CCCC1)c1ccccc1F
• InChI: InChI=1S/C16H20FN5O/c1-12-19-20-21-22(12)10-15(23)18-11-16(8-4-5-9-16)13-6-2-3-7-14(13)17/h2-3,6-7H,4-5,8-11H2,1H3,(H,18,23)
• InChIKey: YFPVLJQCTUNLKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[1-(2-fluorophenyl)cyclopentyl]methyl}-2-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)acetamide
• IUPAC Traditional name: N-{[1-(2-fluorophenyl)cyclopentyl]methyl}-2-(5-methyl-1,2,3,4-tetrazol-1-yl)acetamide
• Synonyms: N-{[1-(2-fluorophenyl)cyclopentyl]methyl}-2-(5-methyl-1H-tetrazol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.418463
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6947141
• LogD (pH = 7.4): 1.6947145
• Log P: 1.6947145
• Molar Refractivity: 96.6323 cm^3
• Polarizability: 31.675587 Å^3
• Polar Surface Area: 72.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.64
• LOG S: -2.92
• Polar Surface Area: 72.7 Å^2
• Rotatable Bonds: 5