2-chloro-N-[4-(dimethylamino)phenyl]acetamide hydrochloride

• ChemBase ID: 229260
• Molecular Formular: C10H14Cl2N2O
• Molecular Mass: 249.13696
• Monoisotopic Mass: 248.04831844
• SMILES: C(=O)(Nc1ccc(N(C)C)cc1)CCl.Cl
• Canonical SMILES: ClCC(=O)Nc1ccc(cc1)N(C)C.Cl
• InChI: InChI=1S/C10H13ClN2O.ClH/c1-13(2)9-5-3-8(4-6-9)12-10(14)7-11;/h3-6H,7H2,1-2H3,(H,12,14);1H
• InChIKey: FDSLSBBUGOVQSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[4-(dimethylamino)phenyl]acetamide hydrochloride
• IUPAC Traditional name: 2-chloro-N-[4-(dimethylamino)phenyl]acetamide hydrochloride
• Synonyms: 2-chloro-N-[4-(dimethylamino)phenyl]acetamide hydrochloride

Database IDs

• CAS Number: 38426-10-7
• PubChem SID: 164285170
• PubChem CID: 17545611

CALCULATED PROPERTIES

• Acid pKa: 14.849226
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8047132
• LogD (pH = 7.4): 1.8556541
• Log P: 1.8563439
• Molar Refractivity: 60.1028 cm^3
• Polarizability: 21.862501 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.939

Product Information

• Purity: 95%
• Salt Data: HCl