2-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)morpholine

• ChemBase ID: 562446
• Molecular Formular: C19H19Cl2NO2
• Molecular Mass: 364.26566
• Monoisotopic Mass: 363.07928421
• SMILES: N1(C(=O)c2cc(cc(c2)C)C)CC(c2cc(c(cc2)Cl)Cl)OCC1
• Canonical SMILES: Cc1cc(C)cc(c1)C(=O)N1CCOC(C1)c1ccc(c(c1)Cl)Cl
• InChI: InChI=1S/C19H19Cl2NO2/c1-12-7-13(2)9-15(8-12)19(23)22-5-6-24-18(11-22)14-3-4-16(20)17(21)10-14/h3-4,7-10,18H,5-6,11H2,1-2H3
• InChIKey: JAUYEFPVGUDUCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)morpholine
• IUPAC Traditional name: 2-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)morpholine
• Synonyms: 2-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.07191
• LogD (pH = 7.4): 5.07191
• Log P: 5.07191
• Molar Refractivity: 97.9791 cm^3
• Polarizability: 37.385376 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.93
• LOG S: -5.21
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2