2-cyclopentyl-9-(4-fluoro-2-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 330689
• Molecular Formular: C22H29FN2O2
• Molecular Mass: 372.4762632
• Monoisotopic Mass: 372.2213064
• SMILES: N1(C(=O)CCC2(C1)CCN(C(=O)c1c(cc(cc1)F)C)CC2)C1CCCC1
• Canonical SMILES: Fc1ccc(c(c1)C)C(=O)N1CCC2(CC1)CCC(=O)N(C2)C1CCCC1
• InChI: InChI=1S/C22H29FN2O2/c1-16-14-17(23)6-7-19(16)21(27)24-12-10-22(11-13-24)9-8-20(26)25(15-22)18-4-2-3-5-18/h6-7,14,18H,2-5,8-13,15H2,1H3
• InChIKey: JOJINLHKMVVYGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopentyl-9-(4-fluoro-2-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-cyclopentyl-9-(4-fluoro-2-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-cyclopentyl-9-(4-fluoro-2-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.166606
• LogD (pH = 7.4): 3.1666067
• Log P: 3.1666067
• Molar Refractivity: 103.7627 cm^3
• Polarizability: 39.4002 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.81
• LOG S: -4.32
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 2