2-diphenylphosphoryl-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide

C21H19N2O3P — CID 135611784

IUPAC2-diphenylphosphoryl-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CP(=O)(c1ccccc1)c1ccccc1)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C21H19N2O3P/c24-18-13-11-17(12-14-18)15-22-23-21(25)16-27(26,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-15,24H,16H2,(H,23,25)/b22-15+
InChIKeySCHWBRYPOCJIQF-PXLXIMEGSA-N
MW378.37 g/mol
LogP2.86
Rot. Bonds6

About 2-diphenylphosphoryl-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide

2-diphenylphosphoryl-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 135611784) has the molecular formula C21H19N2O3P and a molecular weight of 378.37 g/mol. Its IUPAC name is 2-diphenylphosphoryl-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-diphenylphosphoryl-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
PubChem CID135611784
Molecular FormulaC21H19N2O3P
Molecular Weight378.37 g/mol
Exact Mass378.11
IUPAC Name2-diphenylphosphoryl-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CP(=O)(c1ccccc1)c1ccccc1)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C21H19N2O3P/c24-18-13-11-17(12-14-18)15-22-23-21(25)16-27(26,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-15,24H,16H2,(H,23,25)/b22-15+
InChIKeySCHWBRYPOCJIQF-PXLXIMEGSA-N
XLogP2.86
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 2-diphenylphosphoryl-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-diphenylphosphoryl-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide (CID 135611784) is 2-diphenylphosphoryl-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-diphenylphosphoryl-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-diphenylphosphoryl-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide is O=C(CP(=O)(c1ccccc1)c1ccccc1)N/N=C/c1ccc(O)cc1.
What is the InChIKey of 2-diphenylphosphoryl-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is SCHWBRYPOCJIQF-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H19N2O3P/c24-18-13-11-17(12-14-18)15-22-23-21(25)16-27(26,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-15,24H,16H2,(H,23,25)/b22-15+.
What are the key properties of 2-diphenylphosphoryl-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide?
2-diphenylphosphoryl-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 378.37 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphoryl-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135611784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).