N-(4-amino-2-chlorophenyl)pentanamide

• ChemBase ID: 307743
• Molecular Formular: C11H15ClN2O
• Molecular Mass: 226.7026
• Monoisotopic Mass: 226.08729079
• SMILES: N(c1c(cc(N)cc1)Cl)C(=O)CCCC
• Canonical SMILES: CCCCC(=O)Nc1ccc(cc1Cl)N
• InChI: InChI=1S/C11H15ClN2O/c1-2-3-4-11(15)14-10-6-5-8(13)7-9(10)12/h5-7H,2-4,13H2,1H3,(H,14,15)
• InChIKey: NDFLBWDNLUKAIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-amino-2-chlorophenyl)pentanamide
• IUPAC Traditional name: N-(4-amino-2-chlorophenyl)pentanamide
• Synonyms: N-(4-amino-2-chlorophenyl)pentanamide

Database IDs

• CAS Number: 59690-86-7
• MDL Number: MFCD03906872

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.5727727
• LogD (pH = 7.4): 2.5757103
• Log P: 2.575748
• Molar Refractivity: 64.2551 cm^3
• Polarizability: 23.757805 Å^3
• Polar Surface Area: 55.12 Å^2