2-chloro-5-(4-methylbenzoyl)aniline

• ChemBase ID: 312555
• Molecular Formular: C14H12ClNO
• Molecular Mass: 245.70418
• Monoisotopic Mass: 245.06074169
• SMILES: c1(C(=O)c2ccc(cc2)C)cc(c(cc1)Cl)N
• Canonical SMILES: Cc1ccc(cc1)C(=O)c1ccc(c(c1)N)Cl
• InChI: InChI=1S/C14H12ClNO/c1-9-2-4-10(5-3-9)14(17)11-6-7-12(15)13(16)8-11/h2-8H,16H2,1H3
• InChIKey: MXUQMGQNTODIEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-(4-methylbenzoyl)aniline
• IUPAC Traditional name: 2-chloro-5-(4-methylbenzoyl)aniline
• Synonyms: (3-amino-4-chlorophenyl)(4-methylphenyl)methanone

Database IDs

• CAS Number: 106841-04-7
• MDL Number: MFCD08691960

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.7210367
• LogD (pH = 7.4): 3.7211378
• Log P: 3.721139
• Molar Refractivity: 71.1799 cm^3
• Polarizability: 26.749178 Å^3
• Polar Surface Area: 43.09 Å^2