About 2-bromo-N-(4-carbamoylphenyl)-4-chlorobenzamide
2-bromo-N-(4-carbamoylphenyl)-4-chlorobenzamide (PubChem CID 103763181) has the molecular formula C14H10BrClN2O2
and a molecular weight of 353.60 g/mol. Its IUPAC name is 2-bromo-N-(4-carbamoylphenyl)-4-chlorobenzamide.
Molecular Properties
| Compound Name | 2-bromo-N-(4-carbamoylphenyl)-4-chlorobenzamide |
| PubChem CID | 103763181 |
| Molecular Formula | C14H10BrClN2O2 |
| Molecular Weight | 353.60 g/mol |
| Exact Mass | 351.96 |
| IUPAC Name | 2-bromo-N-(4-carbamoylphenyl)-4-chlorobenzamide |
| SMILES | NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Br)cc1 |
| InChI | InChI=1S/C14H10BrClN2O2/c15-12-7-9(16)3-6-11(12)14(20)18-10-4-1-8(2-5-10)13(17)19/h1-7H,(H2,17,19)(H,18,20) |
| InChIKey | GUDBCNJEXBJSMA-UHFFFAOYSA-N |
| XLogP | 3.45 |
| TPSA | 72.19 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 353.60 |
| LogP ≤ 5 | 3.45 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2-bromo-N-(4-carbamoylphenyl)-4-chlorobenzamide?
The IUPAC name of 2-bromo-N-(4-carbamoylphenyl)-4-chlorobenzamide (CID 103763181) is 2-bromo-N-(4-carbamoylphenyl)-4-chlorobenzamide.
What is the SMILES notation for 2-bromo-N-(4-carbamoylphenyl)-4-chlorobenzamide?
The canonical SMILES for 2-bromo-N-(4-carbamoylphenyl)-4-chlorobenzamide is NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Br)cc1.
What is the InChIKey of 2-bromo-N-(4-carbamoylphenyl)-4-chlorobenzamide?
The InChIKey is GUDBCNJEXBJSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O2/c15-12-7-9(16)3-6-11(12)14(20)18-10-4-1-8(2-5-10)13(17)19/h1-7H,(H2,17,19)(H,18,20).
What are the key properties of 2-bromo-N-(4-carbamoylphenyl)-4-chlorobenzamide?
2-bromo-N-(4-carbamoylphenyl)-4-chlorobenzamide has a molecular weight of 353.60 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-carbamoylphenyl)-4-chlorobenzamide is sourced from PubChem (CID 103763181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).