2-chloro-N-{2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}acetamide

• ChemBase ID: 232247
• Molecular Formular: C10H14ClN3O3
• Molecular Mass: 259.68946
• Monoisotopic Mass: 259.072369
• SMILES: N1(C(=O)NC2(C1=O)CCCCC2)NC(=O)CCl
• Canonical SMILES: ClCC(=O)NN1C(=O)NC2(C1=O)CCCCC2
• InChI: InChI=1S/C10H14ClN3O3/c11-6-7(15)13-14-8(16)10(12-9(14)17)4-2-1-3-5-10/h1-6H2,(H,12,17)(H,13,15)
• InChIKey: LBKWFLLIJCWXGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-{2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}acetamide
• IUPAC Traditional name: 2-chloro-N-{2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}acetamide
• Synonyms: 2-Chloro-N-(2,4-dioxo-1,3-diaza-spiro[4.5]dec-3-yl)-acetamide

Database IDs

• MDL Number: MFCD04608606
• PubChem SID: 164288157
• PubChem CID: 3796108

CALCULATED PROPERTIES

• Acid pKa: 7.191024
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.51734126
• LogD (pH = 7.4): 0.18061972
• Log P: 0.52509165
• Molar Refractivity: 59.7192 cm^3
• Polarizability: 23.353176 Å^3
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 105 - 107°C
• Hydrophobicity(logP): -0.074

Product Information

• Purity: 95%