2-bromo-N-(cyclopropylmethyl)acetamide

• ChemBase ID: 242510
• Molecular Formular: C6H10BrNO
• Molecular Mass: 192.0537
• Monoisotopic Mass: 190.99457595
• SMILES: C(=O)(NCC1CC1)CBr
• Canonical SMILES: BrCC(=O)NCC1CC1
• InChI: InChI=1S/C6H10BrNO/c7-3-6(9)8-4-5-1-2-5/h5H,1-4H2,(H,8,9)
• InChIKey: QTZLOEUBCGORHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-N-(cyclopropylmethyl)acetamide
• IUPAC Traditional name: 2-bromo-N-(cyclopropylmethyl)acetamide
• Synonyms: 2-bromo-N-(cyclopropylmethyl)acetamide

Database IDs

• MDL Number: MFCD18855464
• PubChem SID: 164298420
• PubChem CID: 63680600

CALCULATED PROPERTIES

• Acid pKa: 13.148508
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.69680405
• LogD (pH = 7.4): 0.6968034
• Log P: 0.6968041
• Molar Refractivity: 39.0413 cm^3
• Polarizability: 15.128569 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.648

Product Information

• Purity: 95%