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Molecule
N,N-Diphenylacetamide
CAS: 519-87-9 · C14H13NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 519-87-9
- Molecular Formula
- C14H13NO
- Molecular Mass
- 211.26 g/mol
Identifiers
CAS Registry Number
519-87-9
SMILES
CC(=O)N(c1ccccc1)c1ccccc1
InChI Key
DKLYDESVXZKCFI-UHFFFAOYSA-N
InChI
InChI=1S/C14H13NO/c1-12(16)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3
Names and Synonyms
- N,N-Diphenylacetamide Systematic Name
- Acetamide, N,N-diphenyl- Synonym
- N,N-Diphenylacetamide Synonym
- N-Acetyldiphenylamine Synonym
- Diphenylacetamide Synonym
- N-Phenylacetanilide Synonym
- Acetyldiphenylamine Synonym
- NSC 3133 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 211.26 g/mol | CAS Common Chemistry |
| 211.264 g/mol | RDKit | |
| Canonical SMILES | O=C(N(C=1C=CC=CC1)C=2C=CC=CC2)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H13NO/c1-12(16)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DKLYDESVXZKCFI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 103 °C | CAS Common Chemistry |
| Name | N,N-Diphenylacetamide | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
| 20.31 Ų | RDKit | |
| 20.08 Ų | chempirical lib | |
| LogP | 3.3712000000000018 | RDKit |
| 3.3712 | RDKit | |
| Molar Refractivity | 65.70400000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0714 | RDKit |
| 0.07 | chempirical lib | |
| Exact Mass | 211.099714036 g/mol | RDKit |
| Boiling Point | 160-162 °C @ 6 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
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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 = 211.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H13NO.
