2-chloro-N-cyclopentyl-N-cyclopropylacetamide

• ChemBase ID: 260584
• Molecular Formular: C10H16ClNO
• Molecular Mass: 201.69314
• Monoisotopic Mass: 201.09204182
• SMILES: N(C1CC1)(C(=O)CCl)C1CCCC1
• Canonical SMILES: ClCC(=O)N(C1CC1)C1CCCC1
• InChI: InChI=1S/C10H16ClNO/c11-7-10(13)12(9-5-6-9)8-3-1-2-4-8/h8-9H,1-7H2
• InChIKey: NAMWZNFVPBYWOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-cyclopentyl-N-cyclopropylacetamide
• IUPAC Traditional name: 2-chloro-N-cyclopentyl-N-cyclopropylacetamide
• Synonyms: 2-chloro-N-cyclopentyl-N-cyclopropylacetamide

Database IDs

• MDL Number: MFCD18483133
• PubChem SID: 164316494
• PubChem CID: 52908102

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.774674
• LogD (pH = 7.4): 1.774674
• Log P: 1.774674
• Molar Refractivity: 52.6369 cm^3
• Polarizability: 20.743935 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.637

Product Information

• Purity: 95%