N-(adamantan-1-yl)-2-chloro-N-(furan-2-ylmethyl)acetamide

• ChemBase ID: 236686
• Molecular Formular: C17H22ClNO2
• Molecular Mass: 307.81508
• Monoisotopic Mass: 307.13390663
• SMILES: C12(N(C(=O)CCl)Cc3occc3)CC3CC(C1)CC(C2)C3
• Canonical SMILES: ClCC(=O)N(C12CC3CC(C2)CC(C1)C3)Cc1ccco1
• InChI: InChI=1S/C17H22ClNO2/c18-10-16(20)19(11-15-2-1-3-21-15)17-7-12-4-13(8-17)6-14(5-12)9-17/h1-3,12-14H,4-11H2
• InChIKey: DBBVGEGHVRNBQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(adamantan-1-yl)-2-chloro-N-(furan-2-ylmethyl)acetamide
• IUPAC Traditional name: N-(adamantan-1-yl)-2-chloro-N-(furan-2-ylmethyl)acetamide
• Synonyms: N-1-adamantyl-2-chloro-N-(2-furylmethyl)acetamide

Database IDs

• MDL Number: MFCD06358072
• PubChem SID: 164292596
• PubChem CID: 3798636

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8305337
• LogD (pH = 7.4): 2.8305337
• Log P: 2.8305337
• Molar Refractivity: 81.6328 cm^3
• Polarizability: 31.995016 Å^3
• Polar Surface Area: 33.45 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.414

Product Information

• Purity: 95%