2-chloro-N,N-diphenylpropanamide

• ChemBase ID: 72337
• Molecular Formular: C15H14ClNO
• Molecular Mass: 259.73076
• Monoisotopic Mass: 259.07639175
• SMILES: C(=O)(N(c1ccccc1)c1ccccc1)C(Cl)C
• Canonical SMILES: CC(C(=O)N(c1ccccc1)c1ccccc1)Cl
• InChI: InChI=1S/C15H14ClNO/c1-12(16)15(18)17(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3
• InChIKey: BWNUNGKNWBDEHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N,N-diphenylpropanamide
• IUPAC Traditional name: 2-chloro-N,N-diphenylpropanamide
• Synonyms: 2-Chloro-N,N-diphenylpropanamide

Database IDs

• PubChem SID: 162104283
• PubChem CID: 14880495

CALCULATED PROPERTIES

• Acid pKa: 16.449781
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.8390887
• LogD (pH = 7.4): 3.8390887
• Log P: 3.8390887
• Molar Refractivity: 73.0616 cm^3
• Polarizability: 28.443432 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT