About N-phenyl-N'-(2,4,6-tribromophenyl)ethanimidamide
N-phenyl-N'-(2,4,6-tribromophenyl)ethanimidamide (PubChem CID 154719416) has the molecular formula C14H11Br3N2
and a molecular weight of 446.97 g/mol. Its IUPAC name is N-phenyl-N'-(2,4,6-tribromophenyl)ethanimidamide.
Molecular Properties
| Compound Name | N-phenyl-N'-(2,4,6-tribromophenyl)ethanimidamide |
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| PubChem CID | 154719416 |
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| Molecular Formula | C14H11Br3N2 |
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| Molecular Weight | 446.97 g/mol |
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| Exact Mass | 443.85 |
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| IUPAC Name | N-phenyl-N'-(2,4,6-tribromophenyl)ethanimidamide |
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| SMILES | C/C(=N\c1c(Br)cc(Br)cc1Br)Nc1ccccc1 |
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| InChI | InChI=1S/C14H11Br3N2/c1-9(18-11-5-3-2-4-6-11)19-14-12(16)7-10(15)8-13(14)17/h2-8H,1H3,(H,18,19) |
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| InChIKey | BMHLQRPMPCNTIA-UHFFFAOYSA-N |
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| XLogP | 6.14 |
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| TPSA | 24.39 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 19 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 446.97 |
| LogP ≤ 5 | 6.14 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-phenyl-N'-(2,4,6-tribromophenyl)ethanimidamide?
The IUPAC name of N-phenyl-N'-(2,4,6-tribromophenyl)ethanimidamide (CID 154719416) is N-phenyl-N'-(2,4,6-tribromophenyl)ethanimidamide.
What is the SMILES notation for N-phenyl-N'-(2,4,6-tribromophenyl)ethanimidamide?
The canonical SMILES for N-phenyl-N'-(2,4,6-tribromophenyl)ethanimidamide is C/C(=N\c1c(Br)cc(Br)cc1Br)Nc1ccccc1.
What is the InChIKey of N-phenyl-N'-(2,4,6-tribromophenyl)ethanimidamide?
The InChIKey is BMHLQRPMPCNTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br3N2/c1-9(18-11-5-3-2-4-6-11)19-14-12(16)7-10(15)8-13(14)17/h2-8H,1H3,(H,18,19).
What are the key properties of N-phenyl-N'-(2,4,6-tribromophenyl)ethanimidamide?
N-phenyl-N'-(2,4,6-tribromophenyl)ethanimidamide has a molecular weight of 446.97 g/mol, XLogP of 6.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N'-(2,4,6-tribromophenyl)ethanimidamide is sourced from PubChem (CID 154719416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).