About N'-(3,5-dichlorophenyl)-4-ethylbenzohydrazide
N'-(3,5-dichlorophenyl)-4-ethylbenzohydrazide (PubChem CID 2813075) has the molecular formula C15H14Cl2N2O
and a molecular weight of 309.20 g/mol. Its IUPAC name is N'-(3,5-dichlorophenyl)-4-ethylbenzohydrazide.
Molecular Properties
| Compound Name | N'-(3,5-dichlorophenyl)-4-ethylbenzohydrazide |
| PubChem CID | 2813075 |
| Molecular Formula | C15H14Cl2N2O |
| Molecular Weight | 309.20 g/mol |
| Exact Mass | 308.05 |
| IUPAC Name | N'-(3,5-dichlorophenyl)-4-ethylbenzohydrazide |
| SMILES | CCc1ccc(C(=O)NNc2cc(Cl)cc(Cl)c2)cc1 |
| InChI | InChI=1S/C15H14Cl2N2O/c1-2-10-3-5-11(6-4-10)15(20)19-18-14-8-12(16)7-13(17)9-14/h3-9,18H,2H2,1H3,(H,19,20) |
| InChIKey | RWSJSQMMWRDYKA-UHFFFAOYSA-N |
| XLogP | 4.31 |
| TPSA | 41.13 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 309.20 |
| LogP ≤ 5 | 4.31 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
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 N'-(3,5-dichlorophenyl)-4-ethylbenzohydrazide?
The IUPAC name of N'-(3,5-dichlorophenyl)-4-ethylbenzohydrazide (CID 2813075) is N'-(3,5-dichlorophenyl)-4-ethylbenzohydrazide.
What is the SMILES notation for N'-(3,5-dichlorophenyl)-4-ethylbenzohydrazide?
The canonical SMILES for N'-(3,5-dichlorophenyl)-4-ethylbenzohydrazide is CCc1ccc(C(=O)NNc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of N'-(3,5-dichlorophenyl)-4-ethylbenzohydrazide?
The InChIKey is RWSJSQMMWRDYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-2-10-3-5-11(6-4-10)15(20)19-18-14-8-12(16)7-13(17)9-14/h3-9,18H,2H2,1H3,(H,19,20).
What are the key properties of N'-(3,5-dichlorophenyl)-4-ethylbenzohydrazide?
N'-(3,5-dichlorophenyl)-4-ethylbenzohydrazide has a molecular weight of 309.20 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dichlorophenyl)-4-ethylbenzohydrazide is sourced from PubChem (CID 2813075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).