About N-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide
N-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide (PubChem CID 837401) has the molecular formula C22H19NO3
and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide.
Molecular Properties
| Compound Name | N-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide |
| PubChem CID | 837401 |
| Molecular Formula | C22H19NO3 |
| Molecular Weight | 345.40 g/mol |
| Exact Mass | 345.14 |
| IUPAC Name | N-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide |
| SMILES | Cc1ccc(OCC(=O)Nc2ccc(C(=O)c3ccccc3)cc2)cc1 |
| InChI | InChI=1S/C22H19NO3/c1-16-7-13-20(14-8-16)26-15-21(24)23-19-11-9-18(10-12-19)22(25)17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,23,24) |
| InChIKey | FRAJIPDZQQHFJX-UHFFFAOYSA-N |
| XLogP | 4.24 |
| TPSA | 55.40 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 26 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 345.40 |
| LogP ≤ 5 | 4.24 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of N-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide (CID 837401) is N-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2ccc(C(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide?
The InChIKey is FRAJIPDZQQHFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-16-7-13-20(14-8-16)26-15-21(24)23-19-11-9-18(10-12-19)22(25)17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,23,24).
What are the key properties of N-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide?
N-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide has a molecular weight of 345.40 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzoylphenyl)-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 837401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).