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Molecule
N-(2,3-Dimethylphenyl)-3-Hydroxy-2-Naphthalenecarboxamide
CAS: 6358-02-7 · C19H17NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6358-02-7
- Molecular Formula
- C19H17NO2
- Molecular Mass
- 291.35 g/mol
Identifiers
CAS Registry Number
6358-02-7
SMILES
Cc1cccc(N=C(O)c2cc3ccccc3cc2O)c1C
InChI Key
QQJZWTLAVYMEEW-UHFFFAOYSA-N
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)
Names and Synonyms
- N-(2,3-Dimethylphenyl)-3-Hydroxy-2-Naphthalenecarboxamide Systematic Name
- 2-Naphthalenecarboxamide, N-(2,3-dimethylphenyl)-3-hydroxy- Synonym
- 2-Naphtho-2′,3′-xylidide, 3-hydroxy- Synonym
- N-(2,3-Dimethylphenyl)-3-hydroxy-2-naphthalenecarboxamide Synonym
- 3-Hydroxy-naphthalene-2-carboxylic acid (2,3-dimethyl-phenyl)-amide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 291.35 g/mol | CAS Common Chemistry |
| 291.3500000000001 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 |
| 52.82 Ų | RDKit | |
| LogP | 4.798540000000004 | RDKit |
| 4.7985 | RDKit | |
| Molar Refractivity | 90.35460000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1053 | RDKit |
| 0.11 | chempirical lib | |
| Exact Mass | 291.12592878400005 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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 = 291.35 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C19H17NO2.
