About 1-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-phenylhydrazine
1-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-phenylhydrazine (PubChem CID 169385373) has the molecular formula C20H18ClFN2O
and a molecular weight of 356.83 g/mol. Its IUPAC name is 1-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-phenylhydrazine.
Molecular Properties
| Compound Name | 1-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-phenylhydrazine |
| PubChem CID | 169385373 |
| Molecular Formula | C20H18ClFN2O |
| Molecular Weight | 356.83 g/mol |
| Exact Mass | 356.11 |
| IUPAC Name | 1-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-phenylhydrazine |
| SMILES | Fc1ccc(COc2ccc(Cl)cc2CNNc2ccccc2)cc1 |
| InChI | InChI=1S/C20H18ClFN2O/c21-17-8-11-20(25-14-15-6-9-18(22)10-7-15)16(12-17)13-23-24-19-4-2-1-3-5-19/h1-12,23-24H,13-14H2 |
| InChIKey | OYVVSHDEUIPGSZ-UHFFFAOYSA-N |
| XLogP | 5.17 |
| TPSA | 33.29 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Heavy Atoms | 25 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 356.83 |
| LogP ≤ 5 | 5.17 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-phenylhydrazine?
The IUPAC name of 1-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-phenylhydrazine (CID 169385373) is 1-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-phenylhydrazine?
The canonical SMILES for 1-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-phenylhydrazine is Fc1ccc(COc2ccc(Cl)cc2CNNc2ccccc2)cc1.
What is the InChIKey of 1-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-phenylhydrazine?
The InChIKey is OYVVSHDEUIPGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O/c21-17-8-11-20(25-14-15-6-9-18(22)10-7-15)16(12-17)13-23-24-19-4-2-1-3-5-19/h1-12,23-24H,13-14H2.
What are the key properties of 1-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-phenylhydrazine?
1-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-phenylhydrazine has a molecular weight of 356.83 g/mol, XLogP of 5.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-phenylhydrazine is sourced from PubChem (CID 169385373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).