2-[(4-amino-2-chlorophenyl)formamido]-N,N-dimethylacetamide

• ChemBase ID: 240574
• Molecular Formular: C11H14ClN3O2
• Molecular Mass: 255.70076
• Monoisotopic Mass: 255.07745438
• SMILES: c1(C(=O)NCC(=O)N(C)C)c(cc(cc1)N)Cl
• Canonical SMILES: Nc1ccc(c(c1)Cl)C(=O)NCC(=O)N(C)C
• InChI: InChI=1S/C11H14ClN3O2/c1-15(2)10(16)6-14-11(17)8-4-3-7(13)5-9(8)12/h3-5H,6,13H2,1-2H3,(H,14,17)
• InChIKey: GOVKKDXOFIKMTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-amino-2-chlorophenyl)formamido]-N,N-dimethylacetamide
• IUPAC Traditional name: 2-[(4-amino-2-chlorophenyl)formamido]-N,N-dimethylacetamide
• Synonyms: 2-[(4-amino-2-chlorophenyl)formamido]-N,N-dimethylacetamide

Database IDs

• MDL Number: MFCD11638918
• PubChem SID: 164296484
• PubChem CID: 43310731

CALCULATED PROPERTIES

• Acid pKa: 14.283558
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.059522893
• LogD (pH = 7.4): -0.058933843
• Log P: -0.058926277
• Molar Refractivity: 67.2385 cm^3
• Polarizability: 24.831768 Å^3
• Polar Surface Area: 75.43 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.43

Product Information

• Purity: 95%