About N-[(E)-[4-[4-[(E)-[(3,5-difluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]-3,5-difluoroaniline
N-[(E)-[4-[4-[(E)-[(3,5-difluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]-3,5-difluoroaniline (PubChem CID 146304260) has the molecular formula C26H18F4N4
and a molecular weight of 462.45 g/mol. Its IUPAC name is N-[(E)-[4-[4-[(E)-[(3,5-difluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]-3,5-difluoroaniline.
Molecular Properties
| Compound Name | N-[(E)-[4-[4-[(E)-[(3,5-difluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]-3,5-difluoroaniline |
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| PubChem CID | 146304260 |
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| Molecular Formula | C26H18F4N4 |
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| Molecular Weight | 462.45 g/mol |
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| Exact Mass | 462.15 |
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| IUPAC Name | N-[(E)-[4-[4-[(E)-[(3,5-difluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]-3,5-difluoroaniline |
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| SMILES | Fc1cc(F)cc(N/N=C/c2ccc(-c3ccc(/C=N/Nc4cc(F)cc(F)c4)cc3)cc2)c1 |
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| InChI | InChI=1S/C26H18F4N4/c27-21-9-22(28)12-25(11-21)33-31-15-17-1-5-19(6-2-17)20-7-3-18(4-8-20)16-32-34-26-13-23(29)10-24(30)14-26/h1-16,33-34H/b31-15+,32-16+ |
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| InChIKey | AWTWTSJDXDLSGP-IHXWQEJPSA-N |
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| XLogP | 6.80 |
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| TPSA | 48.78 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 462.45 |
| LogP ≤ 5 | 6.80 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[(E)-[4-[4-[(E)-[(3,5-difluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]-3,5-difluoroaniline?
The IUPAC name of N-[(E)-[4-[4-[(E)-[(3,5-difluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]-3,5-difluoroaniline (CID 146304260) is N-[(E)-[4-[4-[(E)-[(3,5-difluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]-3,5-difluoroaniline.
What is the SMILES notation for N-[(E)-[4-[4-[(E)-[(3,5-difluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]-3,5-difluoroaniline?
The canonical SMILES for N-[(E)-[4-[4-[(E)-[(3,5-difluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]-3,5-difluoroaniline is Fc1cc(F)cc(N/N=C/c2ccc(-c3ccc(/C=N/Nc4cc(F)cc(F)c4)cc3)cc2)c1.
What is the InChIKey of N-[(E)-[4-[4-[(E)-[(3,5-difluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]-3,5-difluoroaniline?
The InChIKey is AWTWTSJDXDLSGP-IHXWQEJPSA-N. The full InChI is InChI=1S/C26H18F4N4/c27-21-9-22(28)12-25(11-21)33-31-15-17-1-5-19(6-2-17)20-7-3-18(4-8-20)16-32-34-26-13-23(29)10-24(30)14-26/h1-16,33-34H/b31-15+,32-16+.
What are the key properties of N-[(E)-[4-[4-[(E)-[(3,5-difluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]-3,5-difluoroaniline?
N-[(E)-[4-[4-[(E)-[(3,5-difluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]-3,5-difluoroaniline has a molecular weight of 462.45 g/mol, XLogP of 6.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-[4-[(E)-[(3,5-difluorophenyl)hydrazinylidene]methyl]phenyl]phenyl]methylideneamino]-3,5-difluoroaniline is sourced from PubChem (CID 146304260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).