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Molecule
N-Phenylphthalimide
CAS: 520-03-6 · C14H9NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 520-03-6
- Molecular Formula
- C14H9NO2
- Molecular Mass
- 223.23 g/mol
Identifiers
CAS Registry Number
520-03-6
SMILES
O=C1c2ccccc2C(=O)N1c1ccccc1
InChI Key
MFUPLJQNEXUUDW-UHFFFAOYSA-N
InChI
InChI=1S/C14H9NO2/c16-13-11-8-4-5-9-12(11)14(17)15(13)10-6-2-1-3-7-10/h1-9H
Names and Synonyms
- N-Phenylphthalimide Common Name
- 1H-Isoindole-1,3(2H)-dione, 2-phenyl- Synonym
- Phthalimide, N-phenyl- Synonym
- 2-Phenyl-1H-isoindole-1,3(2H)-dione Synonym
- N-Phenylphthalimide Synonym
- Phthalanil Synonym
- 2-Phenyl-1H-isoindole-1,3(2H)dione Synonym
- 2-Phenyl-1,3-isoindolinedione Synonym
- NSC 2769 Synonym
- 2-Phenyl-isoindole-1,3-dione Synonym
- 2-Phenyl-2,3-dihydro-1H-isoindole-1,3-dione Synonym
- 2-Phenylisoindole-1,3-dione Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 223.23 g/mol | CAS Common Chemistry |
| 223.231 g/mol | RDKit | |
| Canonical SMILES | O=C1C=2C=CC=CC2C(=O)N1C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C14H9NO2/c16-13-11-8-4-5-9-12(11)14(17)15(13)10-6-2-1-3-7-10/h1-9H | CAS Common Chemistry |
| InChI Key | InChIKey=MFUPLJQNEXUUDW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 210 °C | CAS Common Chemistry |
| Name | N-Phenylphthalimide | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 37.38 Ų | RDKit |
| 37.15 Ų | chempirical lib | |
| LogP | 2.4872000000000005 | RDKit |
| 2.4872 | RDKit | |
| Molar Refractivity | 64.02400000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 223.063328528 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 223.23 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H9NO2.
