2-(2-chlorophenyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine hydrochloride

• ChemBase ID: 243589
• Molecular Formular: C15H20Cl2N2O
• Molecular Mass: 315.2381
• Monoisotopic Mass: 314.09526863
• SMILES: N1(C(=O)[C@H]2NCCC2)C(c2c(Cl)cccc2)CCC1.Cl
• Canonical SMILES: O=C(N1CCCC1c1ccccc1Cl)[C@@H]1CCCN1.Cl
• InChI: InChI=1S/C15H19ClN2O.ClH/c16-12-6-2-1-5-11(12)14-8-4-10-18(14)15(19)13-7-3-9-17-13;/h1-2,5-6,13-14,17H,3-4,7-10H2;1H/t13-,14?;/m0./s1
• InChIKey: AXKPXSNECQYMGE-GPFYXIAXSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chlorophenyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine hydrochloride
• IUPAC Traditional name: 2-(2-chlorophenyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine hydrochloride
• Synonyms: 2-(2-chlorophenyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine hydrochloride

Database IDs

• MDL Number: MFCD22578711
• PubChem SID: 164299499
• PubChem CID: 71757291

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.8695492
• LogD (pH = 7.4): -0.020132193
• Log P: 2.3373504
• Molar Refractivity: 76.3085 cm^3
• Polarizability: 30.042616 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.464

Product Information

• Purity: 95%