2-(2-chloro-4-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide

• ChemBase ID: 843209
• Molecular Formular: C19H16ClFN2O
• Molecular Mass: 342.7945432
• Monoisotopic Mass: 342.09351904
• SMILES: C(=O)(N(Cc1c2c(nccc2)ccc1)C)Cc1c(cc(cc1)F)Cl
• Canonical SMILES: Fc1ccc(c(c1)Cl)CC(=O)N(Cc1cccc2c1cccn2)C
• InChI: InChI=1S/C19H16ClFN2O/c1-23(19(24)10-13-7-8-15(21)11-17(13)20)12-14-4-2-6-18-16(14)5-3-9-22-18/h2-9,11H,10,12H2,1H3
• InChIKey: STYNBILAEVRNAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chloro-4-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide
• IUPAC Traditional name: 2-(2-chloro-4-fluorophenyl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide
• Synonyms: 2-(2-chloro-4-fluorophenyl)-N-methyl-N-(5-quinolinylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.8621929
• LogD (pH = 7.4): 3.8800452
• Log P: 3.880278
• Molar Refractivity: 92.5363 cm^3
• Polarizability: 36.621002 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.84
• LOG S: -4.12
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 4