About N-(2,4-dibromophenyl)-1-(3-fluorophenyl)methanimine
N-(2,4-dibromophenyl)-1-(3-fluorophenyl)methanimine (PubChem CID 23329288) has the molecular formula C13H8Br2FN
and a molecular weight of 357.02 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-1-(3-fluorophenyl)methanimine.
Molecular Properties
| Compound Name | N-(2,4-dibromophenyl)-1-(3-fluorophenyl)methanimine |
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| PubChem CID | 23329288 |
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| Molecular Formula | C13H8Br2FN |
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| Molecular Weight | 357.02 g/mol |
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| Exact Mass | 354.90 |
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| IUPAC Name | N-(2,4-dibromophenyl)-1-(3-fluorophenyl)methanimine |
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| SMILES | Fc1cccc(/C=N/c2ccc(Br)cc2Br)c1 |
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| InChI | InChI=1S/C13H8Br2FN/c14-10-4-5-13(12(15)7-10)17-8-9-2-1-3-11(16)6-9/h1-8H/b17-8+ |
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| InChIKey | DAWNEEUPOZAGSJ-CAOOACKPSA-N |
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| XLogP | 5.10 |
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| TPSA | 12.36 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 17 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 357.02 |
| LogP ≤ 5 | 5.10 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-(2,4-dibromophenyl)-1-(3-fluorophenyl)methanimine?
The IUPAC name of N-(2,4-dibromophenyl)-1-(3-fluorophenyl)methanimine (CID 23329288) is N-(2,4-dibromophenyl)-1-(3-fluorophenyl)methanimine.
What is the SMILES notation for N-(2,4-dibromophenyl)-1-(3-fluorophenyl)methanimine?
The canonical SMILES for N-(2,4-dibromophenyl)-1-(3-fluorophenyl)methanimine is Fc1cccc(/C=N/c2ccc(Br)cc2Br)c1.
What is the InChIKey of N-(2,4-dibromophenyl)-1-(3-fluorophenyl)methanimine?
The InChIKey is DAWNEEUPOZAGSJ-CAOOACKPSA-N. The full InChI is InChI=1S/C13H8Br2FN/c14-10-4-5-13(12(15)7-10)17-8-9-2-1-3-11(16)6-9/h1-8H/b17-8+.
What are the key properties of N-(2,4-dibromophenyl)-1-(3-fluorophenyl)methanimine?
N-(2,4-dibromophenyl)-1-(3-fluorophenyl)methanimine has a molecular weight of 357.02 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromophenyl)-1-(3-fluorophenyl)methanimine is sourced from PubChem (CID 23329288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).