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Molecule
Diphenamid
CAS: 957-51-7 · C16H17NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 957-51-7
- Molecular Formula
- C16H17NO
- Molecular Mass
- 239.32 g/mol
Identifiers
CAS Registry Number
957-51-7
SMILES
CN(C)C(=O)C(c1ccccc1)c1ccccc1
InChI Key
QAHFOPIILNICLA-UHFFFAOYSA-N
InChI
InChI=1S/C16H17NO/c1-17(2)16(18)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,1-2H3
Names and Synonyms
- Diphenamid Common Name
- Benzeneacetamide, N,N-dimethyl-α-phenyl- Synonym
- Diphenamide Synonym
- Acetamide, N,N-dimethyl-2,2-diphenyl- Synonym
- N,N-Dimethyl-α-phenylbenzeneacetamide Synonym
- Enide 50 Synonym
- L 34314 Synonym
- Lilly 34,314 Synonym
- N,N-Dimethyl-2,2-diphenylacetamide Synonym
- Dimid Synonym
- Diphenamid Synonym
- Dymid Synonym
- Dif 4 Synonym
- Enide 50W Synonym
- Enide Synonym
- N,N-Dimethyl-α,α-diphenylacetamide Synonym
- N,N-Dimethyldiphenylacetamide Synonym
- Fenam Synonym
- Zarur Synonym
- Rideon Synonym
- Diherbid Synonym
- Diphenylacetic acid dimethylamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 239.32 g/mol | CAS Common Chemistry |
| 239.318 g/mol | RDKit | |
| Density | 1.17 g/cm³ | CAS Common Chemistry |
| 1.17 g/cm3 @ 23.3 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C(N(C)C)C(C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C16H17NO/c1-17(2)16(18)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QAHFOPIILNICLA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 134.5-135.5 °C | CAS Common Chemistry |
| Name | Diphenamid | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
| 20.31 Ų | RDKit | |
| 20.08 Ų | chempirical lib | |
| LogP | 2.9067000000000016 | RDKit |
| 2.9067 | RDKit | |
| 2.9 | chempirical lib | |
| Molar Refractivity | 73.42100000000005 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1875 | RDKit |
| 0.19 | chempirical lib | |
| Exact Mass | 239.131014164 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
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 = 239.32 g/mol; density = 1.170 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C16H17NO.
