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N-(2,3-Dimethylphenyl)-3-Hydroxy-2-Naphthalenecarboxamide
CAS: 6358-02-7 | C19H17NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6358-02-7
Molecular Formula:
C19H17NO2
Molecular Mass:
291.35 g/mol
Names and Synonyms:
N-(2,3-Dimethylphenyl)-3-Hydroxy-2-Naphthalenecarboxamide
2-Naphthalenecarboxamide, N-(2,3-dimethylphenyl)-3-hydroxy-
2-Naphtho-2′,3′-xylidide, 3-hydroxy-
N-(2,3-Dimethylphenyl)-3-hydroxy-2-naphthalenecarboxamide
3-Hydroxy-naphthalene-2-carboxylic acid (2,3-dimethyl-phenyl)-amide
Identifiers:
SMILES:
Cc1cccc(N=C(O)c2cc3ccccc3cc2O)c1C
InChI:
InChI=1S/C19H17NO2/c1-12-6-5-9-17(13(12)2)20-19(22)16-10-14-7-3-4-8-15(14)11-18(16)21/h3-11,21H,1-2H3,(H,20,22)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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3
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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40
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 291.35 g/mol | CAS Common Chemistry |
| 291.3500000000001 g/mol | RDKit | |
| 291.12592878400005 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1=CC=CC(=C1C)C)C2=CC=3C=CC=CC3C=C2O | CAS Common Chemistry |
| InChI | InChI=1S/C19H17NO2/c1-12-6-5-9-17(13(12)2)20-19(22)16-10-14-7-3-4-8-15(14)11-18(16)21/h3-11,21H,1-2H3,(H,20,22) | CAS Common Chemistry |
| InChI Key | InChIKey=QQJZWTLAVYMEEW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-(2,3-Dimethylphenyl)-3-hydroxy-2-naphthalenecarboxamide | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 52.82000000000001 Ų | RDKit |
| LogP | 4.798540000000004 | RDKit |
| Molar Refractivity | 90.35460000000005 | RDKit |
