2-(2-chlorophenyl)-N-[(1S,2R)-2-[(propan-2-yl)amino]cyclobutyl]acetamide

• ChemBase ID: 652332
• Molecular Formular: C15H21ClN2O
• Molecular Mass: 280.79304
• Monoisotopic Mass: 280.13424098
• SMILES: C(=O)(N[C@@H]1[C@H](NC(C)C)CC1)Cc1c(Cl)cccc1
• Canonical SMILES: CC(N[C@@H]1CC[C@@H]1NC(=O)Cc1ccccc1Cl)C
• InChI: InChI=1S/C15H21ClN2O/c1-10(2)17-13-7-8-14(13)18-15(19)9-11-5-3-4-6-12(11)16/h3-6,10,13-14,17H,7-9H2,1-2H3,(H,18,19)/t13-,14+/m1/s1
• InChIKey: ZWAPEFUDALSTSU-KGLIPLIRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chlorophenyl)-N-[(1S,2R)-2-[(propan-2-yl)amino]cyclobutyl]acetamide
• IUPAC Traditional name: 2-(2-chlorophenyl)-N-[(1S,2R)-2-(isopropylamino)cyclobutyl]acetamide
• Synonyms: 2-(2-chlorophenyl)-N-[(1S*,2R*)-2-(isopropylamino)cyclobutyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.612751
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.6307395
• LogD (pH = 7.4): 0.3094648
• Log P: 2.5660834
• Molar Refractivity: 77.6625 cm^3
• Polarizability: 30.769384 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 1.66
• LOG S: -2.67
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 5