About N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
N-(4-bromo-3-methylphenyl)-4-methoxybenzamide (PubChem CID 710659) has the molecular formula C15H14BrNO2
and a molecular weight of 320.19 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-4-methoxybenzamide.
Molecular Properties
| Compound Name | N-(4-bromo-3-methylphenyl)-4-methoxybenzamide |
| PubChem CID | 710659 |
| Molecular Formula | C15H14BrNO2 |
| Molecular Weight | 320.19 g/mol |
| Exact Mass | 319.02 |
| IUPAC Name | N-(4-bromo-3-methylphenyl)-4-methoxybenzamide |
| SMILES | COc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1 |
| InChI | InChI=1S/C15H14BrNO2/c1-10-9-12(5-8-14(10)16)17-15(18)11-3-6-13(19-2)7-4-11/h3-9H,1-2H3,(H,17,18) |
| InChIKey | NBPJLIZBSDOIQS-UHFFFAOYSA-N |
| XLogP | 4.02 |
| TPSA | 38.33 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 320.19 |
| LogP ≤ 5 | 4.02 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of N-(4-bromo-3-methylphenyl)-4-methoxybenzamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-4-methoxybenzamide (CID 710659) is N-(4-bromo-3-methylphenyl)-4-methoxybenzamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-4-methoxybenzamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-4-methoxybenzamide?
The InChIKey is NBPJLIZBSDOIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-10-9-12(5-8-14(10)16)17-15(18)11-3-6-13(19-2)7-4-11/h3-9H,1-2H3,(H,17,18).
What are the key properties of N-(4-bromo-3-methylphenyl)-4-methoxybenzamide?
N-(4-bromo-3-methylphenyl)-4-methoxybenzamide has a molecular weight of 320.19 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-4-methoxybenzamide is sourced from PubChem (CID 710659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).