N-(5-aminopentyl)-2-(dimethylamino)-2-(2-fluorophenyl)acetamide

• ChemBase ID: 448859
• Molecular Formular: C15H24FN3O
• Molecular Mass: 281.3689632
• Monoisotopic Mass: 281.19034062
• SMILES: c1(C(C(=O)NCCCCCN)N(C)C)c(F)cccc1
• Canonical SMILES: NCCCCCNC(=O)C(c1ccccc1F)N(C)C
• InChI: InChI=1S/C15H24FN3O/c1-19(2)14(12-8-4-5-9-13(12)16)15(20)18-11-7-3-6-10-17/h4-5,8-9,14H,3,6-7,10-11,17H2,1-2H3,(H,18,20)
• InChIKey: SSDWRHDJEYCKED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-aminopentyl)-2-(dimethylamino)-2-(2-fluorophenyl)acetamide
• IUPAC Traditional name: N-(5-aminopentyl)-2-(dimethylamino)-2-(2-fluorophenyl)acetamide
• Synonyms: N-(5-aminopentyl)-2-(dimethylamino)-2-(2-fluorophenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.606704
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.4448757
• LogD (pH = 7.4): -1.2441559
• Log P: 1.3889248
• Molar Refractivity: 79.4267 cm^3
• Polarizability: 30.809517 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.23
• LOG S: -2.3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 8