2-fluoro-6-[4-(propan-2-yloxy)phenyl]benzamide

• ChemBase ID: 645507
• Molecular Formular: C16H16FNO2
• Molecular Mass: 273.3021432
• Monoisotopic Mass: 273.11650698
• SMILES: c1(c(c2ccc(OC(C)C)cc2)cccc1F)C(=O)N
• Canonical SMILES: CC(Oc1ccc(cc1)c1cccc(c1C(=O)N)F)C
• InChI: InChI=1S/C16H16FNO2/c1-10(2)20-12-8-6-11(7-9-12)13-4-3-5-14(17)15(13)16(18)19/h3-10H,1-2H3,(H2,18,19)
• InChIKey: UJJHKSQUHOCFQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-6-[4-(propan-2-yloxy)phenyl]benzamide
• IUPAC Traditional name: 2-fluoro-6-(4-isopropoxyphenyl)benzamide
• Synonyms: 3-fluoro-4'-isopropoxybiphenyl-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.301972
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.229525
• LogD (pH = 7.4): 3.2295256
• Log P: 3.229525
• Molar Refractivity: 76.1196 cm^3
• Polarizability: 29.954071 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.76
• LOG S: -3.55
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 4