2-benzamido-N-[2-(dimethylamino)ethyl]benzamide hydrochloride

• ChemBase ID: 122680
• Molecular Formular: C18H22ClN3O2
• Molecular Mass: 347.83918
• Monoisotopic Mass: 347.14005464
• SMILES: c1(c(NC(=O)c2ccccc2)cccc1)C(=O)NCCN(C)C.Cl
• Canonical SMILES: CN(CCNC(=O)c1ccccc1NC(=O)c1ccccc1)C.Cl
• InChI: InChI=1S/C18H21N3O2.ClH/c1-21(2)13-12-19-18(23)15-10-6-7-11-16(15)20-17(22)14-8-4-3-5-9-14;/h3-11H,12-13H2,1-2H3,(H,19,23)(H,20,22);1H
• InChIKey: GCZWMWPDYCLYQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzamido-N-[2-(dimethylamino)ethyl]benzamide hydrochloride
• IUPAC Traditional name: 2-benzamido-N-[2-(dimethylamino)ethyl]benzamide hydrochloride
• Synonyms: 2-benzamido-N-(2-(dimethylamino)ethyl)benzamide hydrochloride

Database IDs

• PubChem SID: 162217033
• PubChem CID: 45369492

CALCULATED PROPERTIES

• Acid pKa: 10.565997
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.07963314
• LogD (pH = 7.4): 1.6686801
• Log P: 2.8080914
• Molar Refractivity: 93.5857 cm^3
• Polarizability: 34.660534 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl