2-(3,4-dichlorophenyl)-N-[(2S)-1-(2,5-dihydro-1H-pyrrol-1-yl)-3-methylbutan-2-yl]-N-methylacetamide

• ChemBase ID: 128121
• Molecular Formular: C18H24Cl2N2O
• Molecular Mass: 355.30196
• Monoisotopic Mass: 354.12656876
• SMILES: CC(C)[C@@H](CN1CC=CC1)N(C)C(=O)Cc1cc(c(cc1)Cl)Cl
• Canonical SMILES: CC([C@H](N(C(=O)Cc1ccc(c(c1)Cl)Cl)C)CN1CC=CC1)C
• InChI: InChI=1S/C18H24Cl2N2O/c1-13(2)17(12-22-8-4-5-9-22)21(3)18(23)11-14-6-7-15(19)16(20)10-14/h4-7,10,13,17H,8-9,11-12H2,1-3H3/t17-/m1/s1
• InChIKey: QFAIAMMFKKYCTL-QGZVFWFLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-dichlorophenyl)-N-[(2S)-1-(2,5-dihydro-1H-pyrrol-1-yl)-3-methylbutan-2-yl]-N-methylacetamide
• IUPAC Traditional name: 2-(3,4-dichlorophenyl)-N-[(2S)-1-(2,5-dihydropyrrol-1-yl)-3-methylbutan-2-yl]-N-methylacetamide
• Synonyms: LPK-26

Database IDs

• CAS Number: 492451-07-7
• PubChem SID: 162222435
• PubChem CID: 10043746
• Wikipedia Title: LPK-26

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2469591
• LogD (pH = 7.4): 2.9948277
• Log P: 4.1378984
• Molar Refractivity: 98.3739 cm^3
• Polarizability: 37.950047 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true