2-[(cyclobutylmethyl)amino]-N-(2,6-dichlorophenyl)acetamide

• ChemBase ID: 242796
• Molecular Formular: C13H16Cl2N2O
• Molecular Mass: 287.18494
• Monoisotopic Mass: 286.0639685
• SMILES: c1(NC(=O)CNCC2CCC2)c(Cl)cccc1Cl
• Canonical SMILES: O=C(Nc1c(Cl)cccc1Cl)CNCC1CCC1
• InChI: InChI=1S/C13H16Cl2N2O/c14-10-5-2-6-11(15)13(10)17-12(18)8-16-7-9-3-1-4-9/h2,5-6,9,16H,1,3-4,7-8H2,(H,17,18)
• InChIKey: FMKWGTMBJOXECH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(cyclobutylmethyl)amino]-N-(2,6-dichlorophenyl)acetamide
• IUPAC Traditional name: 2-[(cyclobutylmethyl)amino]-N-(2,6-dichlorophenyl)acetamide
• Synonyms: 2-[(cyclobutylmethyl)amino]-N-(2,6-dichlorophenyl)acetamide

Database IDs

• MDL Number: MFCD12095342
• PubChem SID: 164298706
• PubChem CID: 43627341

CALCULATED PROPERTIES

• Acid pKa: 11.3804245
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.21047492
• LogD (pH = 7.4): 1.7945713
• Log P: 3.152642
• Molar Refractivity: 75.2079 cm^3
• Polarizability: 29.001438 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.197

Product Information

• Purity: 95%