N-(3,4-dichlorophenyl)-N-[(1R,2R)-2-(dimethylamino)cyclopentyl]propanamide

• ChemBase ID: 127218
• Molecular Formular: C16H22Cl2N2O
• Molecular Mass: 329.26468
• Monoisotopic Mass: 328.11091869
• SMILES: Clc1ccc(N(C(=O)CC)[C@@H]2CCC[C@H]2N(C)C)cc1Cl
• Canonical SMILES: CCC(=O)N([C@@H]1CCC[C@H]1N(C)C)c1ccc(c(c1)Cl)Cl
• InChI: InChI=1S/C16H22Cl2N2O/c1-4-16(21)20(11-8-9-12(17)13(18)10-11)15-7-5-6-14(15)19(2)3/h8-10,14-15H,4-7H2,1-3H3/t14-,15-/m1/s1
• InChIKey: YCRFSKUCDBJWLX-HUUCEWRRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,4-dichlorophenyl)-N-[(1R,2R)-2-(dimethylamino)cyclopentyl]propanamide
• IUPAC Traditional name: eclanamine
• Synonyms: Eclanamine

Database IDs

• CAS Number: 71027-14-0
• PubChem SID: 162221540
• PubChem CID: 130380
• Chemspider ID: 115358
• Unique Ingredient Identifier: 5Y67H9W4KQ
• Wikipedia Title: Eclanamine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.8589981
• LogD (pH = 7.4): 2.5191898
• Log P: 3.9721923
• Molar Refractivity: 87.7749 cm^3
• Polarizability: 34.50786 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true