2-(dimethylamino)-2-(3-fluorophenyl)-N-{[1-(methoxymethyl)cyclopropyl]methyl}acetamide

• ChemBase ID: 669328
• Molecular Formular: C16H23FN2O2
• Molecular Mass: 294.3644232
• Monoisotopic Mass: 294.17435621
• SMILES: C1(CC1)(CNC(=O)C(c1cc(F)ccc1)N(C)C)COC
• Canonical SMILES: COCC1(CNC(=O)C(c2cccc(c2)F)N(C)C)CC1
• InChI: InChI=1S/C16H23FN2O2/c1-19(2)14(12-5-4-6-13(17)9-12)15(20)18-10-16(7-8-16)11-21-3/h4-6,9,14H,7-8,10-11H2,1-3H3,(H,18,20)
• InChIKey: FYLSSHZXBNEQGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-2-(3-fluorophenyl)-N-{[1-(methoxymethyl)cyclopropyl]methyl}acetamide
• IUPAC Traditional name: 2-(dimethylamino)-2-(3-fluorophenyl)-N-{[1-(methoxymethyl)cyclopropyl]methyl}acetamide
• Synonyms: 2-(dimethylamino)-2-(3-fluorophenyl)-N-{[1-(methoxymethyl)cyclopropyl]methyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.761219
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.26628712
• LogD (pH = 7.4): 1.5643643
• Log P: 1.6849511
• Molar Refractivity: 80.2319 cm^3
• Polarizability: 31.10398 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.42
• LOG S: -2.56
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 7