N-[[diethoxyphosphoryl(phenyl)methylidene]amino]-2-hydroxybenzamide

C18H21N2O5P — CID 2305451

IUPACN-[[diethoxyphosphoryl(phenyl)methylidene]amino]-2-hydroxybenzamide
SMILESCCOP(=O)(OCC)C(=NNC(=O)c1ccccc1O)c1ccccc1
InChIInChI=1S/C18H21N2O5P/c1-3-24-26(23,25-4-2)18(14-10-6-5-7-11-14)20-19-17(22)15-12-8-9-13-16(15)21/h5-13,21H,3-4H2,1-2H3,(H,19,22)
InChIKeyQKQOAIGDJDVWEZ-UHFFFAOYSA-N
MW376.35 g/mol
LogP3.75
Rot. Bonds8

About N-[[diethoxyphosphoryl(phenyl)methylidene]amino]-2-hydroxybenzamide

N-[[diethoxyphosphoryl(phenyl)methylidene]amino]-2-hydroxybenzamide (PubChem CID 2305451) has the molecular formula C18H21N2O5P and a molecular weight of 376.35 g/mol. Its IUPAC name is N-[[diethoxyphosphoryl(phenyl)methylidene]amino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[[diethoxyphosphoryl(phenyl)methylidene]amino]-2-hydroxybenzamide
PubChem CID2305451
Molecular FormulaC18H21N2O5P
Molecular Weight376.35 g/mol
Exact Mass376.12
IUPAC NameN-[[diethoxyphosphoryl(phenyl)methylidene]amino]-2-hydroxybenzamide
SMILESCCOP(=O)(OCC)C(=NNC(=O)c1ccccc1O)c1ccccc1
InChIInChI=1S/C18H21N2O5P/c1-3-24-26(23,25-4-2)18(14-10-6-5-7-11-14)20-19-17(22)15-12-8-9-13-16(15)21/h5-13,21H,3-4H2,1-2H3,(H,19,22)
InChIKeyQKQOAIGDJDVWEZ-UHFFFAOYSA-N
XLogP3.75
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.35
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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

N-[(E)-[diethoxyphosphoryl(phenyl)methylidene]amino]-2-hydroxybenzamide
CID 6898837
N-(benzhydrylideneamino)-2-hydroxybenzamide
CID 24574931
2-hydroxy-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135472588
N-[1-(4-chlorophenyl)propylideneamino]-2-hydroxybenzamide
CID 4608756
ethyl N-(2-hydroxybenzoyl)carbamate
CID 175348381
N-[(Z)-1-(2,5-diethoxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 9212454
2-hydroxy-N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]benzamide
CID 9077909
diethyl 2-[(2-hydroxybenzoyl)hydrazinylidene]-3-methylbutanedioate
CID 3619400
2-methyl-N-[(Z)-1-phenylpropylideneamino]benzamide
CID 5391962
2-hydroxy-N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]benzamide
CID 135730522
2-hydroxy-N-[(Z)-1-pyridin-4-ylbutylideneamino]benzamide
CID 142204388
(Z)-2-diethoxyphosphoryl-1-ethoxy-2-phenylethenol
CID 134873610

Frequently Asked Questions

What is the IUPAC name of N-[[diethoxyphosphoryl(phenyl)methylidene]amino]-2-hydroxybenzamide?
The IUPAC name of N-[[diethoxyphosphoryl(phenyl)methylidene]amino]-2-hydroxybenzamide (CID 2305451) is N-[[diethoxyphosphoryl(phenyl)methylidene]amino]-2-hydroxybenzamide.
What is the SMILES notation for N-[[diethoxyphosphoryl(phenyl)methylidene]amino]-2-hydroxybenzamide?
The canonical SMILES for N-[[diethoxyphosphoryl(phenyl)methylidene]amino]-2-hydroxybenzamide is CCOP(=O)(OCC)C(=NNC(=O)c1ccccc1O)c1ccccc1.
What is the InChIKey of N-[[diethoxyphosphoryl(phenyl)methylidene]amino]-2-hydroxybenzamide?
The InChIKey is QKQOAIGDJDVWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N2O5P/c1-3-24-26(23,25-4-2)18(14-10-6-5-7-11-14)20-19-17(22)15-12-8-9-13-16(15)21/h5-13,21H,3-4H2,1-2H3,(H,19,22).
What are the key properties of N-[[diethoxyphosphoryl(phenyl)methylidene]amino]-2-hydroxybenzamide?
N-[[diethoxyphosphoryl(phenyl)methylidene]amino]-2-hydroxybenzamide has a molecular weight of 376.35 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[diethoxyphosphoryl(phenyl)methylidene]amino]-2-hydroxybenzamide is sourced from PubChem (CID 2305451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).