{2-[4-(3-chloro-4-fluorobenzoyl)morpholin-2-yl]ethyl}dimethylamine

• ChemBase ID: 661088
• Molecular Formular: C15H20ClFN2O2
• Molecular Mass: 314.7829032
• Monoisotopic Mass: 314.11973379
• SMILES: N1(C(=O)c2cc(c(cc2)F)Cl)CC(OCC1)CCN(C)C
• Canonical SMILES: CN(CCC1OCCN(C1)C(=O)c1ccc(c(c1)Cl)F)C
• InChI: InChI=1S/C15H20ClFN2O2/c1-18(2)6-5-12-10-19(7-8-21-12)15(20)11-3-4-14(17)13(16)9-11/h3-4,9,12H,5-8,10H2,1-2H3
• InChIKey: IHZUFOFYBLGXEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[4-(3-chloro-4-fluorobenzoyl)morpholin-2-yl]ethyl}dimethylamine
• IUPAC Traditional name: {2-[4-(3-chloro-4-fluorobenzoyl)morpholin-2-yl]ethyl}dimethylamine
• Synonyms: 2-[4-(3-chloro-4-fluorobenzoyl)-2-morpholinyl]-N,N-dimethylethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.3239355
• LogD (pH = 7.4): 0.20312445
• Log P: 1.9378557
• Molar Refractivity: 81.5802 cm^3
• Polarizability: 31.005013 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.19
• LOG S: -1.97
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 3