4-[[ethoxy(methyl)phosphoryl]methyl]-N-(4-methyl-3-pyridin-2-ylphenyl)benzamide

C23H25N2O3P — CID 170124233

IUPAC4-[[ethoxy(methyl)phosphoryl]methyl]-N-(4-methyl-3-pyridin-2-ylphenyl)benzamide
SMILESCCOP(C)(=O)Cc1ccc(C(=O)Nc2ccc(C)c(-c3ccccn3)c2)cc1
InChIInChI=1S/C23H25N2O3P/c1-4-28-29(3,27)16-18-9-11-19(12-10-18)23(26)25-20-13-8-17(2)21(15-20)22-7-5-6-14-24-22/h5-15H,4,16H2,1-3H3,(H,25,26)
InChIKeySXYRDUGTLGBWEN-UHFFFAOYSA-N
MW408.44 g/mol
LogP5.75
Rot. Bonds7

About 4-[[ethoxy(methyl)phosphoryl]methyl]-N-(4-methyl-3-pyridin-2-ylphenyl)benzamide

4-[[ethoxy(methyl)phosphoryl]methyl]-N-(4-methyl-3-pyridin-2-ylphenyl)benzamide (PubChem CID 170124233) has the molecular formula C23H25N2O3P and a molecular weight of 408.44 g/mol. Its IUPAC name is 4-[[ethoxy(methyl)phosphoryl]methyl]-N-(4-methyl-3-pyridin-2-ylphenyl)benzamide.

Molecular Properties

Compound Name4-[[ethoxy(methyl)phosphoryl]methyl]-N-(4-methyl-3-pyridin-2-ylphenyl)benzamide
PubChem CID170124233
Molecular FormulaC23H25N2O3P
Molecular Weight408.44 g/mol
Exact Mass408.16
IUPAC Name4-[[ethoxy(methyl)phosphoryl]methyl]-N-(4-methyl-3-pyridin-2-ylphenyl)benzamide
SMILESCCOP(C)(=O)Cc1ccc(C(=O)Nc2ccc(C)c(-c3ccccn3)c2)cc1
InChIInChI=1S/C23H25N2O3P/c1-4-28-29(3,27)16-18-9-11-19(12-10-18)23(26)25-20-13-8-17(2)21(15-20)22-7-5-6-14-24-22/h5-15H,4,16H2,1-3H3,(H,25,26)
InChIKeySXYRDUGTLGBWEN-UHFFFAOYSA-N
XLogP5.75
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.44
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methyl-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 170125944
2-chloro-N-(4-methyl-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 170124259
4-(aminomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide
CID 66877992
[4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]methylcarbamic acid
CID 141316203
N-(4-ethyl-3-pyridin-2-ylphenyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 170124282
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methylsulfonylethyl)benzamide
CID 66878311
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfonyl)benzamide
CID 58614690
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(2,2,2-trifluoroethylamino)methyl]benzamide;N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide;methyl 6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate
CID 158131120
N-(4-ethyl-3-pyridin-2-ylphenyl)-4-(piperidin-4-ylmethyl)benzamide
CID 170124345
N-(4-chloro-3-pyridin-2-ylphenyl)-6-(propylamino)pyridine-3-carboxamide
CID 170126154
N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methoxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1-methylsulfonylethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonylmethyl]benzamide
CID 162049803
4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]benzoic acid
CID 66877887

Frequently Asked Questions

What is the IUPAC name of 4-[[ethoxy(methyl)phosphoryl]methyl]-N-(4-methyl-3-pyridin-2-ylphenyl)benzamide?
The IUPAC name of 4-[[ethoxy(methyl)phosphoryl]methyl]-N-(4-methyl-3-pyridin-2-ylphenyl)benzamide (CID 170124233) is 4-[[ethoxy(methyl)phosphoryl]methyl]-N-(4-methyl-3-pyridin-2-ylphenyl)benzamide.
What is the SMILES notation for 4-[[ethoxy(methyl)phosphoryl]methyl]-N-(4-methyl-3-pyridin-2-ylphenyl)benzamide?
The canonical SMILES for 4-[[ethoxy(methyl)phosphoryl]methyl]-N-(4-methyl-3-pyridin-2-ylphenyl)benzamide is CCOP(C)(=O)Cc1ccc(C(=O)Nc2ccc(C)c(-c3ccccn3)c2)cc1.
What is the InChIKey of 4-[[ethoxy(methyl)phosphoryl]methyl]-N-(4-methyl-3-pyridin-2-ylphenyl)benzamide?
The InChIKey is SXYRDUGTLGBWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N2O3P/c1-4-28-29(3,27)16-18-9-11-19(12-10-18)23(26)25-20-13-8-17(2)21(15-20)22-7-5-6-14-24-22/h5-15H,4,16H2,1-3H3,(H,25,26).
What are the key properties of 4-[[ethoxy(methyl)phosphoryl]methyl]-N-(4-methyl-3-pyridin-2-ylphenyl)benzamide?
4-[[ethoxy(methyl)phosphoryl]methyl]-N-(4-methyl-3-pyridin-2-ylphenyl)benzamide has a molecular weight of 408.44 g/mol, XLogP of 5.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethoxy(methyl)phosphoryl]methyl]-N-(4-methyl-3-pyridin-2-ylphenyl)benzamide is sourced from PubChem (CID 170124233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).