2-chloro-N-[(3-chlorophenyl)(phenyl)methyl]acetamide

• ChemBase ID: 260677
• Molecular Formular: C15H13Cl2NO
• Molecular Mass: 294.17582
• Monoisotopic Mass: 293.0374194
• SMILES: C(NC(=O)CCl)(c1cc(Cl)ccc1)c1ccccc1
• Canonical SMILES: ClCC(=O)NC(c1cccc(c1)Cl)c1ccccc1
• InChI: InChI=1S/C15H13Cl2NO/c16-10-14(19)18-15(11-5-2-1-3-6-11)12-7-4-8-13(17)9-12/h1-9,15H,10H2,(H,18,19)
• InChIKey: MOMPYSPOSDWLMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[(3-chlorophenyl)(phenyl)methyl]acetamide
• IUPAC Traditional name: 2-chloro-N-[(3-chlorophenyl)(phenyl)methyl]acetamide
• Synonyms: 2-chloro-N-[(3-chlorophenyl)(phenyl)methyl]acetamide

Database IDs

• MDL Number: MFCD18785436
• PubChem SID: 164316587
• PubChem CID: 54592494

CALCULATED PROPERTIES

• Acid pKa: 10.095316
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.8434799
• LogD (pH = 7.4): 3.8427143
• Log P: 3.8434896
• Molar Refractivity: 77.816 cm^3
• Polarizability: 30.334085 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.624

Product Information

• Purity: 95%