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

• ChemBase ID: 260601
• Molecular Formular: C10H12ClNOS
• Molecular Mass: 229.72638
• Monoisotopic Mass: 229.03281269
• SMILES: N(C1CC1)(C(=O)CCl)Cc1sccc1
• Canonical SMILES: ClCC(=O)N(C1CC1)Cc1cccs1
• InChI: InChI=1S/C10H12ClNOS/c11-6-10(13)12(8-3-4-8)7-9-2-1-5-14-9/h1-2,5,8H,3-4,6-7H2
• InChIKey: RKZRWNKEBVWBDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11938629
• PubChem SID: 164316511
• PubChem CID: 39247722

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0573266
• LogD (pH = 7.4): 2.0573266
• Log P: 2.0573266
• Molar Refractivity: 57.7262 cm^3
• Polarizability: 22.382666 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.579

Product Information

• Purity: 95%