N'-(3,4-dichlorophenyl)-N-(2,2-dimethylpropyl)oxamide
Basic information
- CAS
5379-35-1- Standard SMILES
CC(C)(C)CNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1- InChIKey
VOYJEBRIVDLJCR-UHFFFAOYSA-N- Molecular formula
- C13H16Cl2N2O2
- Average molar mass
- 303.18 g/mol
- Monoisotopic mass
- 302.0588831
Names & identifiers
- Preferred name
- N'-(3,4-dichlorophenyl)-N-(2,2-dimethylpropyl)oxamide
- IUPAC
- N'-(3,4-dichlorophenyl)-N-(2,2-dimethylpropyl)oxamide
- English name
- 5-(3-Amino-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)isophthalic acid
- Molecular formula
- C11H9N3O5
- Molecular weight
- 263.21
Names & synonyms
N-(3,4-dichlorophenyl)-N'-(2,2-dimethylpropyl)ethanediamideorb3215190N'-(3,4-dichlorophenyl)-N-(2,2-dimethylpropyl)oxamideDTXSID40968574SR-01000207574SR-01000207574-1N~1~-(3,4-Dichlorophenyl)-N~2~-(2,2-dimethylpropyl)ethanediamide5-(3-Amino-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)isophthalic acid1,3-Benzenedicarboxylic acid, 5-(3-amino-4,5-dihydro-5-oxo-1H-pyrazol-1-yl)-
Database identifiers
- CAS
5379-35-1- PubChem CID
- 2058071
- DTXSID
DTXSID40968574
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 342
Physicochemical properties
- Melting point
- 310 °C · >310 °C
- Boiling point
- 613.8 · 613.8±65.0 °C(Predicted)
- Density
- 1.73 · 1.73±0.1 g/cm3(Predicted)
- pka
- 3.39 · 3.39±0.10(Predicted)
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Compound notes
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