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Nepafenac
CAS: 78281-72-8 | C15H14N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
78281-72-8
Molecular Formula:
C15H14N2O2
Molecular Mass:
254.29 g/mol
Names and Synonyms:
Nepafenac
Benzeneacetamide, 2-amino-3-benzoyl-
2-Amino-3-benzoylbenzeneacetamide
AL 6515
Nepafenac
AHR 9434
Nevanac
Ilevro
2-(2-Amino-3-benzoylphenyl)acetamide
Identifiers:
SMILES:
N=C(O)Cc1cccc(C(=O)c2ccccc2)c1N
InChI:
InChI=1S/C15H14N2O2/c16-13(18)9-11-7-4-8-12(14(11)17)15(19)10-5-2-1-3-6-10/h1-8H,9,17H2,(H2,16,18)
Key Properties
Melting Point
178-180 °C @ Solvent: Isopropanol
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 | 254.29 g/mol | CAS Common Chemistry |
| 254.289 g/mol | RDKit | |
| 254.105527688 g/mol | RDKit | |
| Canonical SMILES | O=C(N)CC=1C=CC=C(C(=O)C=2C=CC=CC2)C1N | CAS Common Chemistry |
| InChI | InChI=1S/C15H14N2O2/c16-13(18)9-11-7-4-8-12(14(11)17)15(19)10-5-2-1-3-6-10/h1-8H,9,17H2,(H2,16,18) | CAS Common Chemistry |
| InChI Key | InChIKey=QEFAQIPZVLVERP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 178-180 °C @ Solvent: Isopropanol | CAS Common Chemistry |
| Name | Nepafenac | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 87.17 Ų | RDKit |
| LogP | 2.5775699999999997 | RDKit |
| Molar Refractivity | 74.78840000000002 | RDKit |
