2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-phenylacetamide
Basic information
- CAS
2017-94-9- Standard SMILES
O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccccc1- InChIKey
FGGXHXRRJHMULM-UHFFFAOYSA-N- Molecular formula
- C16H12N2O3
- Average molar mass
- 280.28 g/mol
- Monoisotopic mass
- 280.08479225
Names & identifiers
- Preferred name
- 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-phenylacetamide
- IUPAC
- 2-(1,3-dioxoisoindol-2-yl)-N-phenylacetamide
- English name
- 2-(1,3-dioxoisoindol-2-yl)-N-phenyl-acetamide
- Molecular formula
- C16H12N2O3
- Molecular weight
- 280.28
Names & synonyms
2017-94-92-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-phenylacetamideDTXSID40279298RefChem:249642DTXCID702304532-(1,3-dioxoisoindol-2-yl)-N-phenyl-acetamide2-(1,3-dioxoisoindolin-2-yl)-N-phenylacetamide2-(1,3-dioxoisoindol-2-yl)-N-phenylacetamide2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-phenylacetamideNSC12130ChemDiv2_003607Oprea1_159592
Show more names
2H-Isoindole-2-acetamide, 1,3-dihydro-1,3-dioxo-N-phenyl-
Oprea1_162699MLS001211876SCHEMBL6693868CHEMBL16027082-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-phenyl-acetamideHMS1379D21HMS2828D10CCG-18130
Database identifiers
- CAS
2017-94-9- PubChem CID
- 223985
- DTXSID
DTXSID40279298- ChEMBL
CHEMBL1602708
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 419
Experimental & physicochemical properties
Solubility18.9 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 230.5 · 230.5-231.5 °C
- Boiling point
- 525.1 · 525.1±33.0 °C(Predicted)
- Density
- 1.393 · 1.393±0.06 g/cm3(Predicted)
- pka
- 13.58 · 13.58±0.70(Predicted)
- Comptox DTXSID
- 40279298 · DTXSID40279298
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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