4-[(4-methylphenyl)diazenyl]-N-methylphosphonoyloxybenzamide;yttrium

C15H16N3O3PY — CID 59207731

IUPAC4-[(4-methylphenyl)diazenyl]-N-methylphosphonoyloxybenzamide;yttrium
SMILESCc1ccc(/N=N/c2ccc(C(=O)NO[PH](C)=O)cc2)cc1.[Y]
InChIInChI=1S/C15H16N3O3P.Y/c1-11-3-7-13(8-4-11)16-17-14-9-5-12(6-10-14)15(19)18-21-22(2)20;/h3-10,22H,1-2H3,(H,18,19);/b17-16+;
InChIKeyBEOSOGGVNUSODZ-CMBBICFISA-N
MW406.19 g/mol
LogP4.17
Rot. Bonds5

About 4-[(4-methylphenyl)diazenyl]-N-methylphosphonoyloxybenzamide;yttrium

4-[(4-methylphenyl)diazenyl]-N-methylphosphonoyloxybenzamide;yttrium (PubChem CID 59207731) has the molecular formula C15H16N3O3PY and a molecular weight of 406.19 g/mol. Its IUPAC name is 4-[(4-methylphenyl)diazenyl]-N-methylphosphonoyloxybenzamide;yttrium.

Molecular Properties

Compound Name4-[(4-methylphenyl)diazenyl]-N-methylphosphonoyloxybenzamide;yttrium
PubChem CID59207731
Molecular FormulaC15H16N3O3PY
Molecular Weight406.19 g/mol
Exact Mass406.00
IUPAC Name4-[(4-methylphenyl)diazenyl]-N-methylphosphonoyloxybenzamide;yttrium
SMILESCc1ccc(/N=N/c2ccc(C(=O)NO[PH](C)=O)cc2)cc1.[Y]
InChIInChI=1S/C15H16N3O3P.Y/c1-11-3-7-13(8-4-11)16-17-14-9-5-12(6-10-14)15(19)18-21-22(2)20;/h3-10,22H,1-2H3,(H,18,19);/b17-16+;
InChIKeyBEOSOGGVNUSODZ-CMBBICFISA-N
XLogP4.17
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.19
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)diazenyl]-N-methylphosphonoyloxybenzamide;yttrium?
The IUPAC name of 4-[(4-methylphenyl)diazenyl]-N-methylphosphonoyloxybenzamide;yttrium (CID 59207731) is 4-[(4-methylphenyl)diazenyl]-N-methylphosphonoyloxybenzamide;yttrium.
What is the SMILES notation for 4-[(4-methylphenyl)diazenyl]-N-methylphosphonoyloxybenzamide;yttrium?
The canonical SMILES for 4-[(4-methylphenyl)diazenyl]-N-methylphosphonoyloxybenzamide;yttrium is Cc1ccc(/N=N/c2ccc(C(=O)NO[PH](C)=O)cc2)cc1.[Y].
What is the InChIKey of 4-[(4-methylphenyl)diazenyl]-N-methylphosphonoyloxybenzamide;yttrium?
The InChIKey is BEOSOGGVNUSODZ-CMBBICFISA-N. The full InChI is InChI=1S/C15H16N3O3P.Y/c1-11-3-7-13(8-4-11)16-17-14-9-5-12(6-10-14)15(19)18-21-22(2)20;/h3-10,22H,1-2H3,(H,18,19);/b17-16+;.
What are the key properties of 4-[(4-methylphenyl)diazenyl]-N-methylphosphonoyloxybenzamide;yttrium?
4-[(4-methylphenyl)diazenyl]-N-methylphosphonoyloxybenzamide;yttrium has a molecular weight of 406.19 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)diazenyl]-N-methylphosphonoyloxybenzamide;yttrium is sourced from PubChem (CID 59207731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).