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Molecule
Oxanilide
CAS: 620-81-5 · C14H12N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 620-81-5
- Molecular Formula
- C14H12N2O2
- Molecular Mass
- 240.26 g/mol
Identifiers
CAS Registry Number
620-81-5
SMILES
O=C(Nc1ccccc1)C(=O)Nc1ccccc1
InChI Key
FTWUXYZHDFCGSV-UHFFFAOYSA-N
InChI
InChI=1S/C14H12N2O2/c17-13(15-11-7-3-1-4-8-11)14(18)16-12-9-5-2-6-10-12/h1-10H,(H,15,17)(H,16,18)
Names and Synonyms
- Oxanilide Synonym
- Ethanediamide, N1,N2-diphenyl- Synonym
- Oxanilide Synonym
- Ethanediamide, N,N′-diphenyl- Synonym
- N1,N2-Diphenylethanediamide Synonym
- Oxalanilide Synonym
- N,N′-Diphenyloxalamide Synonym
- N,N′-Diphenyloxalic acid diamide Synonym
- NSC 4183 Synonym
- N,N′-Diphenyloxamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 240.26 g/mol | CAS Common Chemistry |
| 240.262 g/mol | RDKit | |
| Canonical SMILES | O=C(NC=1C=CC=CC1)C(=O)NC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H12N2O2/c17-13(15-11-7-3-1-4-8-11)14(18)16-12-9-5-2-6-10-12/h1-10H,(H,15,17)(H,16,18) | CAS Common Chemistry |
| InChI Key | InChIKey=FTWUXYZHDFCGSV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 254 °C | CAS Common Chemistry |
| Name | Oxanilide | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 58.2 Ų | RDKit |
| LogP | 2.2638 | RDKit |
| Molar Refractivity | 70.14340000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 240.089877624 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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0 ppm
| 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 = 240.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H12N2O2.
