2-chloro-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide

• ChemBase ID: 251516
• Molecular Formular: C15H16ClNOS
• Molecular Mass: 293.81164
• Monoisotopic Mass: 293.06411282
• SMILES: N(C(=O)CCl)(Cc1sccc1)CCc1ccccc1
• Canonical SMILES: ClCC(=O)N(Cc1cccs1)CCc1ccccc1
• InChI: InChI=1S/C15H16ClNOS/c16-11-15(18)17(12-14-7-4-10-19-14)9-8-13-5-2-1-3-6-13/h1-7,10H,8-9,11-12H2
• InChIKey: VGBJHHAGXNUUJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide
• IUPAC Traditional name: 2-chloro-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide
• Synonyms: 2-chloro-N-(2-phenylethyl)-N-(thien-2-ylmethyl)acetamide

Database IDs

• MDL Number: MFCD01523245
• PubChem SID: 164307426
• PubChem CID: 9327087

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6048963
• LogD (pH = 7.4): 3.6048963
• Log P: 3.6048963
• Molar Refractivity: 79.8826 cm^3
• Polarizability: 30.810505 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.322

Product Information

• Purity: 95%