2-(5-chloro-2-fluorobenzoyl)-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 692424
• Molecular Formular: C20H24ClFN2O2
• Molecular Mass: 378.8681632
• Monoisotopic Mass: 378.15103392
• SMILES: C12(C(=O)N(CC3CCC3)CCC2)CN(C(=O)c2c(ccc(c2)Cl)F)CC1
• Canonical SMILES: Clc1ccc(c(c1)C(=O)N1CCC2(C1)CCCN(C2=O)CC1CCC1)F
• InChI: InChI=1S/C20H24ClFN2O2/c21-15-5-6-17(22)16(11-15)18(25)24-10-8-20(13-24)7-2-9-23(19(20)26)12-14-3-1-4-14/h5-6,11,14H,1-4,7-10,12-13H2
• InChIKey: SMALJUFHWCOZDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-chloro-2-fluorobenzoyl)-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-(5-chloro-2-fluorobenzoyl)-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-(5-chloro-2-fluorobenzoyl)-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1950386
• LogD (pH = 7.4): 3.1950397
• Log P: 3.1950397
• Molar Refractivity: 99.1069 cm^3
• Polarizability: 37.71569 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.34
• LOG S: -3.96
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 3