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

C21H19N2O3P — CID 135611783

IUPAC2-diphenylphosphoryl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CP(=O)(c1ccccc1)c1ccccc1)N/N=C/c1ccccc1O
InChIInChI=1S/C21H19N2O3P/c24-20-14-8-7-9-17(20)15-22-23-21(25)16-27(26,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-15,24H,16H2,(H,23,25)/b22-15+
InChIKeyWGLGQMARZPYARS-PXLXIMEGSA-N
MW378.37 g/mol
LogP2.86
Rot. Bonds6

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

2-diphenylphosphoryl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 135611783) has the molecular formula C21H19N2O3P and a molecular weight of 378.37 g/mol. Its IUPAC name is 2-diphenylphosphoryl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-diphenylphosphoryl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID135611783
Molecular FormulaC21H19N2O3P
Molecular Weight378.37 g/mol
Exact Mass378.11
IUPAC Name2-diphenylphosphoryl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CP(=O)(c1ccccc1)c1ccccc1)N/N=C/c1ccccc1O
InChIInChI=1S/C21H19N2O3P/c24-20-14-8-7-9-17(20)15-22-23-21(25)16-27(26,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-15,24H,16H2,(H,23,25)/b22-15+
InChIKeyWGLGQMARZPYARS-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_A(479)', '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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Related Compounds

Acetic (2-hydroxybenzylidene)hydrazide
CID 135442996
Mls002667267
CID 241689
Adipic bis(2-hydroxybenzylidenehydrazide)
CID 135420165
N'-(3,5-dibromo-2-hydroxybenzylidene)-2-(diphenylphosphoryl)acetohydrazide
CID 135425020
2-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol
CID 135519938
N,N'-bis[(2-hydroxyphenyl)methylideneamino]oxamide
CID 243459
N,N'-Bis(salicylideneamino)oxamide
CID 135576411
Acetic acid, (diphenylphosphinyl)-, ((4-methoxyphenyl)methylene)hydrazide
CID 9589122
Acetic acid, (diphenylphosphinyl)-, ((2,4-dihydroxyphenyl)methylene)hydrazide
CID 135606844
Acetic acid, (bis(4-chlorophenyl)phosphinyl)-((2,4-dihydroxyphenyl)methylene)hydrazide
CID 135611774
Acetic acid, (bis(4-chlorophenyl)phosphinyl)-((2-hydroxyphenyl)methylene)hydrazide
CID 135611775
Acetic acid, (diphenylphosphinyl)-, ((4-hydroxyphenyl)methylene)hydrazide
CID 135611784

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphoryl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-diphenylphosphoryl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (CID 135611783) is 2-diphenylphosphoryl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-diphenylphosphoryl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-diphenylphosphoryl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide is O=C(CP(=O)(c1ccccc1)c1ccccc1)N/N=C/c1ccccc1O.
What is the InChIKey of 2-diphenylphosphoryl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is WGLGQMARZPYARS-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H19N2O3P/c24-20-14-8-7-9-17(20)15-22-23-21(25)16-27(26,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-15,24H,16H2,(H,23,25)/b22-15+.
What are the key properties of 2-diphenylphosphoryl-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
2-diphenylphosphoryl-N-[(E)-(2-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)-(2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135611783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).