N-benzyl-4-chloro-N-cyclohexylbenzamide

• ChemBase ID: 239535
• Molecular Formular: C20H22ClNO
• Molecular Mass: 327.84778
• Monoisotopic Mass: 327.13899201
• SMILES: C(=O)(N(Cc1ccccc1)C1CCCCC1)c1ccc(cc1)Cl
• Canonical SMILES: Clc1ccc(cc1)C(=O)N(C1CCCCC1)Cc1ccccc1
• InChI: InChI=1S/C20H22ClNO/c21-18-13-11-17(12-14-18)20(23)22(19-9-5-2-6-10-19)15-16-7-3-1-4-8-16/h1,3-4,7-8,11-14,19H,2,5-6,9-10,15H2
• InChIKey: XDFKWGIBQMHSOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-4-chloro-N-cyclohexylbenzamide
• IUPAC Traditional name: N-benzyl-4-chloro-N-cyclohexylbenzamide
• Synonyms: N-benzyl-4-chloro-N-cyclohexylbenzamide

Database IDs

• MDL Number: MFCD22378757
• PubChem SID: 164295445
• PubChem CID: 24752728

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.399025
• LogD (pH = 7.4): 5.3990264
• Log P: 5.3990264
• Molar Refractivity: 95.3614 cm^3
• Polarizability: 36.782673 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Hydrophobicity(logP): 5.615

Product Information

• Purity: 95%