2-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

• ChemBase ID: 244985
• Molecular Formular: C13H16ClNO
• Molecular Mass: 237.72524
• Monoisotopic Mass: 237.09204182
• SMILES: N(C1c2c(CCC1)cccc2)(C(=O)CCl)C
• Canonical SMILES: ClCC(=O)N(C1CCCc2c1cccc2)C
• InChI: InChI=1S/C13H16ClNO/c1-15(13(16)9-14)12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,12H,4,6,8-9H2,1H3
• InChIKey: FLTYMFJRZLOGIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
• IUPAC Traditional name: 2-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
• Synonyms: 2-chloro-N-methyl-N-1,2,3,4-tetrahydronaphthalen-1-ylacetamide

Database IDs

• MDL Number: MFCD06384312
• PubChem SID: 164300895
• PubChem CID: 4961822

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6676736
• LogD (pH = 7.4): 2.6676736
• Log P: 2.6676736
• Molar Refractivity: 65.8069 cm^3
• Polarizability: 25.43612 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.552

Product Information

• Purity: 95%