N-(cyclohex-1-en-1-ylmethyl)-3-fluoro-2-methoxybenzamide

• ChemBase ID: 838099
• Molecular Formular: C15H18FNO2
• Molecular Mass: 263.3073232
• Monoisotopic Mass: 263.13215704
• SMILES: c1(C(=O)NCC2=CCCCC2)c(c(F)ccc1)OC
• Canonical SMILES: COc1c(F)cccc1C(=O)NCC1=CCCCC1
• InChI: InChI=1S/C15H18FNO2/c1-19-14-12(8-5-9-13(14)16)15(18)17-10-11-6-3-2-4-7-11/h5-6,8-9H,2-4,7,10H2,1H3,(H,17,18)
• InChIKey: FDXQJJHIOIIURR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(cyclohex-1-en-1-ylmethyl)-3-fluoro-2-methoxybenzamide
• IUPAC Traditional name: N-(cyclohex-1-en-1-ylmethyl)-3-fluoro-2-methoxybenzamide
• Synonyms: N-(cyclohex-1-en-1-ylmethyl)-3-fluoro-2-methoxybenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.5730095
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8192503
• LogD (pH = 7.4): 2.81925
• Log P: 2.8192503
• Molar Refractivity: 73.2307 cm^3
• Polarizability: 27.27222 Å^3
• Polar Surface Area: 38.33 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: 3.4
• LOG S: -4.03
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4