2-chloro-N,N-dicyclohexylbenzamide

• ChemBase ID: 300455
• Molecular Formular: C19H26ClNO
• Molecular Mass: 319.86884
• Monoisotopic Mass: 319.17029214
• SMILES: c1ccc(c(c1)C(=O)N(C1CCCCC1)C1CCCCC1)Cl
• Canonical SMILES: Clc1ccccc1C(=O)N(C1CCCCC1)C1CCCCC1
• InChI: InChI=1S/C19H26ClNO/c20-18-14-8-7-13-17(18)19(22)21(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2
• InChIKey: WHSMKKIHACOWQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 349089-42-5
• MDL Number: MFCD00592682

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.4738235
• LogD (pH = 7.4): 5.473824
• Log P: 5.473824
• Molar Refractivity: 91.763 cm^3
• Polarizability: 35.679443 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 97%