About N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide
N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide (PubChem CID 16651140) has the molecular formula C20H16ClNO3
and a molecular weight of 353.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide.
Molecular Properties
| Compound Name | N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide |
| PubChem CID | 16651140 |
| Molecular Formula | C20H16ClNO3 |
| Molecular Weight | 353.81 g/mol |
| Exact Mass | 353.08 |
| IUPAC Name | N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide |
| SMILES | COc1ccc(Oc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cc1 |
| InChI | InChI=1S/C20H16ClNO3/c1-24-17-10-12-19(13-11-17)25-18-8-2-14(3-9-18)20(23)22-16-6-4-15(21)5-7-16/h2-13H,1H3,(H,22,23) |
| InChIKey | VBCCWLGKECDHHJ-UHFFFAOYSA-N |
| XLogP | 5.39 |
| TPSA | 47.56 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 25 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 353.81 |
| LogP ≤ 5 | 5.39 |
| 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-chlorophenyl)-4-(4-methoxyphenoxy)benzamide?
The IUPAC name of N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide (CID 16651140) is N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide is COc1ccc(Oc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide?
The InChIKey is VBCCWLGKECDHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO3/c1-24-17-10-12-19(13-11-17)25-18-8-2-14(3-9-18)20(23)22-16-6-4-15(21)5-7-16/h2-13H,1H3,(H,22,23).
What are the key properties of N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide?
N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide has a molecular weight of 353.81 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide is sourced from PubChem (CID 16651140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).