3-amino-4-(dimethylamino)-N-phenylbenzamide dihydrochloride

• ChemBase ID: 123641
• Molecular Formular: C15H19Cl2N3O
• Molecular Mass: 328.23686
• Monoisotopic Mass: 327.0905176
• SMILES: C(=O)(c1cc(c(cc1)N(C)C)N)Nc1ccccc1.Cl.Cl
• Canonical SMILES: O=C(c1ccc(c(c1)N)N(C)C)Nc1ccccc1.Cl.Cl
• InChI: InChI=1S/C15H17N3O.2ClH/c1-18(2)14-9-8-11(10-13(14)16)15(19)17-12-6-4-3-5-7-12;;/h3-10H,16H2,1-2H3,(H,17,19);2*1H
• InChIKey: TYGGPQDOYQCTOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-4-(dimethylamino)-N-phenylbenzamide dihydrochloride
• IUPAC Traditional name: 3-amino-4-(dimethylamino)-N-phenylbenzamide dihydrochloride
• Synonyms: 3-amino-4-(dimethylamino)-N-phenylbenzamide dihydrochloride

Database IDs

• PubChem SID: 162217994
• PubChem CID: 50851045

CALCULATED PROPERTIES

• Acid pKa: 12.652206
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.342481
• LogD (pH = 7.4): 2.344224
• Log P: 2.3442485
• Molar Refractivity: 80.7205 cm^3
• Polarizability: 28.902153 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: 2 HCl