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

• ChemBase ID: 257094
• Molecular Formular: C15H18ClNO
• Molecular Mass: 263.76252
• Monoisotopic Mass: 263.10769188
• SMILES: N(C1c2c(CCC1)cccc2)(C1CC1)C(=O)CCl
• Canonical SMILES: ClCC(=O)N(C1CCCc2c1cccc2)C1CC1
• InChI: InChI=1S/C15H18ClNO/c16-10-15(18)17(12-8-9-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,12,14H,3,5,7-10H2
• InChIKey: GISQBULGVHDDHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164313004
• PubChem CID: 71758705

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.133238
• LogD (pH = 7.4): 3.133238
• Log P: 3.133238
• Molar Refractivity: 73.0181 cm^3
• Polarizability: 28.38987 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.906

Product Information

• Purity: 95%