bis(N-(4-hydroxyphenyl)acetamide);zirconium(2+);dichloride

C16H18Cl2N2O4Zr — CID 174353959

IUPACbis(N-(4-hydroxyphenyl)acetamide);zirconium(2+);dichloride
SMILESCC(=O)Nc1ccc(O)cc1.CC(=O)Nc1ccc(O)cc1.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/2C8H9NO2.2ClH.Zr/c2*1-6(10)9-7-2-4-8(11)5-3-7;;;/h2*2-5,11H,1H3,(H,9,10);2*1H;/q;;;;+2/p-2
InChIKeyJGBCUUCIKVUDFM-UHFFFAOYSA-L
MW464.46 g/mol
LogP-3.29
Rot. Bonds2

About bis(N-(4-hydroxyphenyl)acetamide);zirconium(2+);dichloride

bis(N-(4-hydroxyphenyl)acetamide);zirconium(2+);dichloride (PubChem CID 174353959) has the molecular formula C16H18Cl2N2O4Zr and a molecular weight of 464.46 g/mol. Its IUPAC name is bis(N-(4-hydroxyphenyl)acetamide);zirconium(2+);dichloride.

Molecular Properties

Compound Namebis(N-(4-hydroxyphenyl)acetamide);zirconium(2+);dichloride
PubChem CID174353959
Molecular FormulaC16H18Cl2N2O4Zr
Molecular Weight464.46 g/mol
Exact Mass461.97
IUPAC Namebis(N-(4-hydroxyphenyl)acetamide);zirconium(2+);dichloride
SMILESCC(=O)Nc1ccc(O)cc1.CC(=O)Nc1ccc(O)cc1.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/2C8H9NO2.2ClH.Zr/c2*1-6(10)9-7-2-4-8(11)5-3-7;;;/h2*2-5,11H,1H3,(H,9,10);2*1H;/q;;;;+2/p-2
InChIKeyJGBCUUCIKVUDFM-UHFFFAOYSA-L
XLogP-3.29
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.46
LogP ≤ 5-3.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

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bis(N-(4-hydroxyphenyl)acetamide);morpholine
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N-(4-methylphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of bis(N-(4-hydroxyphenyl)acetamide);zirconium(2+);dichloride?
The IUPAC name of bis(N-(4-hydroxyphenyl)acetamide);zirconium(2+);dichloride (CID 174353959) is bis(N-(4-hydroxyphenyl)acetamide);zirconium(2+);dichloride.
What is the SMILES notation for bis(N-(4-hydroxyphenyl)acetamide);zirconium(2+);dichloride?
The canonical SMILES for bis(N-(4-hydroxyphenyl)acetamide);zirconium(2+);dichloride is CC(=O)Nc1ccc(O)cc1.CC(=O)Nc1ccc(O)cc1.[Cl-].[Cl-].[Zr+2].
What is the InChIKey of bis(N-(4-hydroxyphenyl)acetamide);zirconium(2+);dichloride?
The InChIKey is JGBCUUCIKVUDFM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H9NO2.2ClH.Zr/c2*1-6(10)9-7-2-4-8(11)5-3-7;;;/h2*2-5,11H,1H3,(H,9,10);2*1H;/q;;;;+2/p-2.
What are the key properties of bis(N-(4-hydroxyphenyl)acetamide);zirconium(2+);dichloride?
bis(N-(4-hydroxyphenyl)acetamide);zirconium(2+);dichloride has a molecular weight of 464.46 g/mol, XLogP of -3.29, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-(4-hydroxyphenyl)acetamide);zirconium(2+);dichloride is sourced from PubChem (CID 174353959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).