2-(3,4-difluorophenyl)-2-(ethylamino)acetamide

• ChemBase ID: 260174
• Molecular Formular: C10H12F2N2O
• Molecular Mass: 214.2118864
• Monoisotopic Mass: 214.09176945
• SMILES: c1(C(C(=O)N)NCC)cc(c(cc1)F)F
• Canonical SMILES: CCNC(c1ccc(c(c1)F)F)C(=O)N
• InChI: InChI=1S/C10H12F2N2O/c1-2-14-9(10(13)15)6-3-4-7(11)8(12)5-6/h3-5,9,14H,2H2,1H3,(H2,13,15)
• InChIKey: SEFBBQVIYSWSIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-difluorophenyl)-2-(ethylamino)acetamide
• IUPAC Traditional name: 2-(3,4-difluorophenyl)-2-(ethylamino)acetamide
• Synonyms: 2-(3,4-difluorophenyl)-2-(ethylamino)acetamide

Database IDs

• MDL Number: MFCD12197135
• PubChem SID: 164316084
• PubChem CID: 45791512

CALCULATED PROPERTIES

• Acid pKa: 14.089242
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.2389451
• LogD (pH = 7.4): 0.47878486
• Log P: 1.0568035
• Molar Refractivity: 52.1395 cm^3
• Polarizability: 19.844803 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.876

Product Information

• Purity: 95%