4-amino-2-chloro-N-cyclohexyl-N-methylbenzamide

• ChemBase ID: 260501
• Molecular Formular: C14H19ClN2O
• Molecular Mass: 266.76646
• Monoisotopic Mass: 266.11859092
• SMILES: C(=O)(c1c(cc(cc1)N)Cl)N(C1CCCCC1)C
• Canonical SMILES: Nc1ccc(c(c1)Cl)C(=O)N(C1CCCCC1)C
• InChI: InChI=1S/C14H19ClN2O/c1-17(11-5-3-2-4-6-11)14(18)12-8-7-10(16)9-13(12)15/h7-9,11H,2-6,16H2,1H3
• InChIKey: PJQHZLLJVRSICO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-2-chloro-N-cyclohexyl-N-methylbenzamide
• IUPAC Traditional name: 4-amino-2-chloro-N-cyclohexyl-N-methylbenzamide
• Synonyms: 4-amino-2-chloro-N-cyclohexyl-N-methylbenzamide

Database IDs

• MDL Number: MFCD09739935
• PubChem SID: 164316411
• PubChem CID: 16793125

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8447638
• LogD (pH = 7.4): 2.8456166
• Log P: 2.8456275
• Molar Refractivity: 75.4492 cm^3
• Polarizability: 28.34967 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 172 - 174°C
• Hydrophobicity(logP): 2.661

Product Information

• Purity: 95%