2-chloro-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide

• ChemBase ID: 262390
• Molecular Formular: C10H12ClNOS
• Molecular Mass: 229.72638
• Monoisotopic Mass: 229.03281269
• SMILES: N(C1CC1)(C(=O)CCl)Cc1cscc1
• Canonical SMILES: ClCC(=O)N(C1CC1)Cc1cscc1
• InChI: InChI=1S/C10H12ClNOS/c11-5-10(13)12(9-1-2-9)6-8-3-4-14-7-8/h3-4,7,9H,1-2,5-6H2
• InChIKey: ZFFAELAOSIKOLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide
• IUPAC Traditional name: 2-chloro-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide
• Synonyms: 2-chloro-N-cyclopropyl-N-(thiophen-3-ylmethyl)acetamide

Database IDs

• MDL Number: MFCD12913149
• PubChem SID: 164318300
• PubChem CID: 45792058

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.9248872
• LogD (pH = 7.4): 1.9248872
• Log P: 1.9248872
• Molar Refractivity: 57.9421 cm^3
• Polarizability: 22.380106 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.809

Product Information

• Purity: 95%