N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamide
Basic information
- CAS
302572-49-2- Standard SMILES
COc1cc(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(OC)cc1Cl- InChIKey
DPUVFXKIZAFJPO-UHFFFAOYSA-N- Molecular formula
- C19H16ClN3O7
- Average molar mass
- 433.8 g/mol
- Monoisotopic mass
- 433.0676776
Names & identifiers
- Preferred name
- N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamide
- IUPAC
- N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide
- English name
- N-(4-Chloro-2,5-dimethoxyphenyl)-3-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamide
- Molecular formula
- C19H16ClN3O7
- Molecular weight
- 433.8
Names & synonyms
N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamideCambridge id 5876056Oprea1_328658Oprea1_702183AKOS001595039EU-0004188ST50187408SR-01000426042SR-01000426042-1N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-nitro-1,3-dioxobenzo[c]azolidin-2-yl)pro panamide2H-Isoindole-2-propanamide, N-(4-chloro-2,5-dimethoxyphenyl)-1,3-dihydro-4-nitro-1,3-dioxo-
Database identifiers
- CAS
302572-49-2- PubChem CID
- 1183293
- EC Number
- 144-472-7
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 700
Physicochemical properties
- Boiling point
- 656.083 · 656.083±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.499 · 1.499±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.421 · 12.421±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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