4-fluoro-2-hydroxy-N-[(1r,4r)-4-methoxycyclohexyl]benzamide

• ChemBase ID: 352704
• Molecular Formular: C14H18FNO3
• Molecular Mass: 267.2960232
• Monoisotopic Mass: 267.12707166
• SMILES: c1(C(=O)N[C@@H]2CC[C@H](CC2)OC)c(cc(cc1)F)O
• Canonical SMILES: CO[C@@H]1CC[C@H](CC1)NC(=O)c1ccc(cc1O)F
• InChI: InChI=1S/C14H18FNO3/c1-19-11-5-3-10(4-6-11)16-14(18)12-7-2-9(15)8-13(12)17/h2,7-8,10-11,17H,3-6H2,1H3,(H,16,18)/t10-,11-
• InChIKey: JZZUTOFKKFDPRM-XYPYZODXSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-2-hydroxy-N-[(1r,4r)-4-methoxycyclohexyl]benzamide
• IUPAC Traditional name: 4-fluoro-2-hydroxy-N-[(1r,4r)-4-methoxycyclohexyl]benzamide
• Synonyms: 4-fluoro-2-hydroxy-N-(trans-4-methoxycyclohexyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 7.196092
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.5837905
• LogD (pH = 7.4): 2.1830637
• Log P: 2.5923772
• Molar Refractivity: 69.6653 cm^3
• Polarizability: 26.347586 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.31
• LOG S: -3.4
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 3