4-{[1-(2-fluorophenyl)propan-2-yl]amino}-N,N-dimethylbutanamide

• ChemBase ID: 328207
• Molecular Formular: C15H23FN2O
• Molecular Mass: 266.3543232
• Monoisotopic Mass: 266.17944159
• SMILES: C(=O)(N(C)C)CCCNC(Cc1c(F)cccc1)C
• Canonical SMILES: CC(Cc1ccccc1F)NCCCC(=O)N(C)C
• InChI: InChI=1S/C15H23FN2O/c1-12(11-13-7-4-5-8-14(13)16)17-10-6-9-15(19)18(2)3/h4-5,7-8,12,17H,6,9-11H2,1-3H3
• InChIKey: GAVAAEIBYSATQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[1-(2-fluorophenyl)propan-2-yl]amino}-N,N-dimethylbutanamide
• IUPAC Traditional name: 4-{[1-(2-fluorophenyl)propan-2-yl]amino}-N,N-dimethylbutanamide
• Synonyms: 4-{[2-(2-fluorophenyl)-1-methylethyl]amino}-N,N-dimethylbutanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1961925
• LogD (pH = 7.4): -0.5056191
• Log P: 2.0235996
• Molar Refractivity: 75.8508 cm^3
• Polarizability: 29.21118 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.13
• LOG S: -2.96
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 7