2-(4-tert-butylphenoxy)-N'-(4-chloroacridin-9-yl)acetohydrazide

C25H24ClN3O2 — CID 134104918

IUPAC2-(4-tert-butylphenoxy)-N'-(4-chloroacridin-9-yl)acetohydrazide
SMILESCC(C)(C)c1ccc(OCC(=O)NNc2c3ccccc3nc3c(Cl)cccc23)cc1
InChIInChI=1S/C25H24ClN3O2/c1-25(2,3)16-11-13-17(14-12-16)31-15-22(30)28-29-23-18-7-4-5-10-21(18)27-24-19(23)8-6-9-20(24)26/h4-14H,15H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyBXTAZGRCRVFMCP-UHFFFAOYSA-N
MW433.94 g/mol
LogP5.86
Rot. Bonds5

About 2-(4-tert-butylphenoxy)-N'-(4-chloroacridin-9-yl)acetohydrazide

2-(4-tert-butylphenoxy)-N'-(4-chloroacridin-9-yl)acetohydrazide (PubChem CID 134104918) has the molecular formula C25H24ClN3O2 and a molecular weight of 433.94 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N'-(4-chloroacridin-9-yl)acetohydrazide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N'-(4-chloroacridin-9-yl)acetohydrazide
PubChem CID134104918
Molecular FormulaC25H24ClN3O2
Molecular Weight433.94 g/mol
Exact Mass433.16
IUPAC Name2-(4-tert-butylphenoxy)-N'-(4-chloroacridin-9-yl)acetohydrazide
SMILESCC(C)(C)c1ccc(OCC(=O)NNc2c3ccccc3nc3c(Cl)cccc23)cc1
InChIInChI=1S/C25H24ClN3O2/c1-25(2,3)16-11-13-17(14-12-16)31-15-22(30)28-29-23-18-7-4-5-10-21(18)27-24-19(23)8-6-9-20(24)26/h4-14H,15H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyBXTAZGRCRVFMCP-UHFFFAOYSA-N
XLogP5.86
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.94
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N'-(4-chloroacridin-9-yl)acetohydrazide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N'-(4-chloroacridin-9-yl)acetohydrazide (CID 134104918) is 2-(4-tert-butylphenoxy)-N'-(4-chloroacridin-9-yl)acetohydrazide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N'-(4-chloroacridin-9-yl)acetohydrazide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N'-(4-chloroacridin-9-yl)acetohydrazide is CC(C)(C)c1ccc(OCC(=O)NNc2c3ccccc3nc3c(Cl)cccc23)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N'-(4-chloroacridin-9-yl)acetohydrazide?
The InChIKey is BXTAZGRCRVFMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O2/c1-25(2,3)16-11-13-17(14-12-16)31-15-22(30)28-29-23-18-7-4-5-10-21(18)27-24-19(23)8-6-9-20(24)26/h4-14H,15H2,1-3H3,(H,27,29)(H,28,30).
What are the key properties of 2-(4-tert-butylphenoxy)-N'-(4-chloroacridin-9-yl)acetohydrazide?
2-(4-tert-butylphenoxy)-N'-(4-chloroacridin-9-yl)acetohydrazide has a molecular weight of 433.94 g/mol, XLogP of 5.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N'-(4-chloroacridin-9-yl)acetohydrazide is sourced from PubChem (CID 134104918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).