N-(2-cyano-4-hydroxyphenyl)-4-(diethoxyphosphorylmethyl)benzamide

C19H21N2O5P — CID 10786490

IUPACN-(2-cyano-4-hydroxyphenyl)-4-(diethoxyphosphorylmethyl)benzamide
SMILESCCOP(=O)(Cc1ccc(C(=O)Nc2ccc(O)cc2C#N)cc1)OCC
InChIInChI=1S/C19H21N2O5P/c1-3-25-27(24,26-4-2)13-14-5-7-15(8-6-14)19(23)21-18-10-9-17(22)11-16(18)12-20/h5-11,22H,3-4,13H2,1-2H3,(H,21,23)
InChIKeyZOQZVWAWZDKNSH-UHFFFAOYSA-N
MW388.36 g/mol
LogP4.28
Rot. Bonds8

About N-(2-cyano-4-hydroxyphenyl)-4-(diethoxyphosphorylmethyl)benzamide

N-(2-cyano-4-hydroxyphenyl)-4-(diethoxyphosphorylmethyl)benzamide (PubChem CID 10786490) has the molecular formula C19H21N2O5P and a molecular weight of 388.36 g/mol. Its IUPAC name is N-(2-cyano-4-hydroxyphenyl)-4-(diethoxyphosphorylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-cyano-4-hydroxyphenyl)-4-(diethoxyphosphorylmethyl)benzamide
PubChem CID10786490
Molecular FormulaC19H21N2O5P
Molecular Weight388.36 g/mol
Exact Mass388.12
IUPAC NameN-(2-cyano-4-hydroxyphenyl)-4-(diethoxyphosphorylmethyl)benzamide
SMILESCCOP(=O)(Cc1ccc(C(=O)Nc2ccc(O)cc2C#N)cc1)OCC
InChIInChI=1S/C19H21N2O5P/c1-3-25-27(24,26-4-2)13-14-5-7-15(8-6-14)19(23)21-18-10-9-17(22)11-16(18)12-20/h5-11,22H,3-4,13H2,1-2H3,(H,21,23)
InChIKeyZOQZVWAWZDKNSH-UHFFFAOYSA-N
XLogP4.28
TPSA108.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.36
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(diethoxyphosphorylmethyl)-2-methylbenzonitrile
CID 71387702
methyl 4-acetamido-3-(diethoxyphosphorylmethyl)benzoate
CID 126482324
1-(diethoxyphosphorylmethyl)-4-[tris[4-(diethoxyphosphorylmethyl)phenyl]methyl]benzene
CID 10920093
N-(2-cyano-4-fluorophenyl)-4-methylbenzamide
CID 79947423
2-amino-N-[4-(diethoxyphosphorylmethyl)phenyl]acetamide;hydrochloride
CID 87467855
N-(2-cyanophenyl)-3,4,5-triethoxybenzamide
CID 3256014
N-(2,4-dihydroxyphenyl)-4-hydroxybenzamide
CID 171363826
N-(2-cyano-4-fluorophenyl)-4-iodobenzamide
CID 79952957
N-(4-amino-2-cyanophenyl)-4-iodobenzamide
CID 43548881
N-(4-bromo-2-cyanophenyl)-4-cyanobenzamide
CID 81498291
(2-cyano-4-hydroxyphenyl)thiourea
CID 91875423
4-chloro-N-(2-cyano-4-fluorophenyl)benzamide
CID 79946601

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-hydroxyphenyl)-4-(diethoxyphosphorylmethyl)benzamide?
The IUPAC name of N-(2-cyano-4-hydroxyphenyl)-4-(diethoxyphosphorylmethyl)benzamide (CID 10786490) is N-(2-cyano-4-hydroxyphenyl)-4-(diethoxyphosphorylmethyl)benzamide.
What is the SMILES notation for N-(2-cyano-4-hydroxyphenyl)-4-(diethoxyphosphorylmethyl)benzamide?
The canonical SMILES for N-(2-cyano-4-hydroxyphenyl)-4-(diethoxyphosphorylmethyl)benzamide is CCOP(=O)(Cc1ccc(C(=O)Nc2ccc(O)cc2C#N)cc1)OCC.
What is the InChIKey of N-(2-cyano-4-hydroxyphenyl)-4-(diethoxyphosphorylmethyl)benzamide?
The InChIKey is ZOQZVWAWZDKNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N2O5P/c1-3-25-27(24,26-4-2)13-14-5-7-15(8-6-14)19(23)21-18-10-9-17(22)11-16(18)12-20/h5-11,22H,3-4,13H2,1-2H3,(H,21,23).
What are the key properties of N-(2-cyano-4-hydroxyphenyl)-4-(diethoxyphosphorylmethyl)benzamide?
N-(2-cyano-4-hydroxyphenyl)-4-(diethoxyphosphorylmethyl)benzamide has a molecular weight of 388.36 g/mol, XLogP of 4.28, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-hydroxyphenyl)-4-(diethoxyphosphorylmethyl)benzamide is sourced from PubChem (CID 10786490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).