1-[2-(4-chlorophenyl)morpholine-4-carbonyl]cyclopropane-1-carboxamide

• ChemBase ID: 393746
• Molecular Formular: C15H17ClN2O3
• Molecular Mass: 308.76008
• Monoisotopic Mass: 308.09277009
• SMILES: C1(C(=O)N2CC(c3ccc(cc3)Cl)OCC2)(CC1)C(=O)N
• Canonical SMILES: O=C(C1(CC1)C(=O)N)N1CCOC(C1)c1ccc(cc1)Cl
• InChI: InChI=1S/C15H17ClN2O3/c16-11-3-1-10(2-4-11)12-9-18(7-8-21-12)14(20)15(5-6-15)13(17)19/h1-4,12H,5-9H2,(H2,17,19)
• InChIKey: ZUGUZQOTSKYUFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(4-chlorophenyl)morpholine-4-carbonyl]cyclopropane-1-carboxamide
• IUPAC Traditional name: 1-[2-(4-chlorophenyl)morpholine-4-carbonyl]cyclopropane-1-carboxamide
• Synonyms: 1-{[2-(4-chlorophenyl)morpholin-4-yl]carbonyl}cyclopropanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.464175
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3074087
• LogD (pH = 7.4): 1.3074087
• Log P: 1.3074087
• Molar Refractivity: 77.861 cm^3
• Polarizability: 30.478132 Å^3
• Polar Surface Area: 72.63 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.86
• LOG S: -2.19
• Polar Surface Area: 72.63 Å^2
• Rotatable Bonds: 3