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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
Names and Synonyms:
Diphenamid
Benzeneacetamide, N,N-dimethyl-α-phenyl-
Diphenamide
Acetamide, N,N-dimethyl-2,2-diphenyl-
N,N-Dimethyl-α-phenylbenzeneacetamide
Enide 50
L 34314
Lilly 34,314
N,N-Dimethyl-2,2-diphenylacetamide
Dimid
Diphenamid
Dymid
Dif 4
Enide 50W
Enide
N,N-Dimethyl-α,α-diphenylacetamide
N,N-Dimethyldiphenylacetamide
Fenam
Zarur
Rideon
Diherbid
Diphenylacetic acid dimethylamide
Identifiers:
SMILES:
CN(C)C(=O)C(c1ccccc1)c1ccccc1
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
Key Properties
Melting Point
134.5-135.5 °C
CAS Common Chemistry
Density
1.17 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 239.32 g/mol | CAS Common Chemistry |
| 239.318 g/mol | RDKit | |
| 239.131014164 g/mol | RDKit | |
| Density | 1.17 g/cm³ | CAS Common Chemistry |
| 1.17 g/cm3 @ Temp: 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 |
| LogP | 2.9067000000000016 | RDKit |
| Molar Refractivity | 73.42100000000005 | RDKit |
