ethyl (2E)-2-[(2,5-dichlorophenyl)hydrazinylidene]-2-(4-ethylpiperazin-1-yl)acetate

C16H22Cl2N4O2 — CID 6900182

IUPACethyl (2E)-2-[(2,5-dichlorophenyl)hydrazinylidene]-2-(4-ethylpiperazin-1-yl)acetate
SMILESCCOC(=O)/C(=N\Nc1cc(Cl)ccc1Cl)N1CCN(CC)CC1
InChIInChI=1S/C16H22Cl2N4O2/c1-3-21-7-9-22(10-8-21)15(16(23)24-4-2)20-19-14-11-12(17)5-6-13(14)18/h5-6,11,19H,3-4,7-10H2,1-2H3/b20-15+
InChIKeyBGBYVELLXCYFBF-HMMYKYKNSA-N
MW373.28 g/mol
LogP2.92
Rot. Bonds4

About ethyl (2E)-2-[(2,5-dichlorophenyl)hydrazinylidene]-2-(4-ethylpiperazin-1-yl)acetate

ethyl (2E)-2-[(2,5-dichlorophenyl)hydrazinylidene]-2-(4-ethylpiperazin-1-yl)acetate (PubChem CID 6900182) has the molecular formula C16H22Cl2N4O2 and a molecular weight of 373.28 g/mol. Its IUPAC name is ethyl (2E)-2-[(2,5-dichlorophenyl)hydrazinylidene]-2-(4-ethylpiperazin-1-yl)acetate.

Molecular Properties

Compound Nameethyl (2E)-2-[(2,5-dichlorophenyl)hydrazinylidene]-2-(4-ethylpiperazin-1-yl)acetate
PubChem CID6900182
Molecular FormulaC16H22Cl2N4O2
Molecular Weight373.28 g/mol
Exact Mass372.11
IUPAC Nameethyl (2E)-2-[(2,5-dichlorophenyl)hydrazinylidene]-2-(4-ethylpiperazin-1-yl)acetate
SMILESCCOC(=O)/C(=N\Nc1cc(Cl)ccc1Cl)N1CCN(CC)CC1
InChIInChI=1S/C16H22Cl2N4O2/c1-3-21-7-9-22(10-8-21)15(16(23)24-4-2)20-19-14-11-12(17)5-6-13(14)18/h5-6,11,19H,3-4,7-10H2,1-2H3/b20-15+
InChIKeyBGBYVELLXCYFBF-HMMYKYKNSA-N
XLogP2.92
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 ethyl (2E)-2-[(2,5-dichlorophenyl)hydrazinylidene]-2-(4-ethylpiperazin-1-yl)acetate?
The IUPAC name of ethyl (2E)-2-[(2,5-dichlorophenyl)hydrazinylidene]-2-(4-ethylpiperazin-1-yl)acetate (CID 6900182) is ethyl (2E)-2-[(2,5-dichlorophenyl)hydrazinylidene]-2-(4-ethylpiperazin-1-yl)acetate.
What is the SMILES notation for ethyl (2E)-2-[(2,5-dichlorophenyl)hydrazinylidene]-2-(4-ethylpiperazin-1-yl)acetate?
The canonical SMILES for ethyl (2E)-2-[(2,5-dichlorophenyl)hydrazinylidene]-2-(4-ethylpiperazin-1-yl)acetate is CCOC(=O)/C(=N\Nc1cc(Cl)ccc1Cl)N1CCN(CC)CC1.
What is the InChIKey of ethyl (2E)-2-[(2,5-dichlorophenyl)hydrazinylidene]-2-(4-ethylpiperazin-1-yl)acetate?
The InChIKey is BGBYVELLXCYFBF-HMMYKYKNSA-N. The full InChI is InChI=1S/C16H22Cl2N4O2/c1-3-21-7-9-22(10-8-21)15(16(23)24-4-2)20-19-14-11-12(17)5-6-13(14)18/h5-6,11,19H,3-4,7-10H2,1-2H3/b20-15+.
What are the key properties of ethyl (2E)-2-[(2,5-dichlorophenyl)hydrazinylidene]-2-(4-ethylpiperazin-1-yl)acetate?
ethyl (2E)-2-[(2,5-dichlorophenyl)hydrazinylidene]-2-(4-ethylpiperazin-1-yl)acetate has a molecular weight of 373.28 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[(2,5-dichlorophenyl)hydrazinylidene]-2-(4-ethylpiperazin-1-yl)acetate is sourced from PubChem (CID 6900182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).