[4-[[2-(4-fluorophenoxy)-5-(trifluoromethyl)benzoyl]amino]-2-oxo-1H-pyridin-3-yl]methyl dihydrogen phosphate

C20H15F4N2O7P — CID 118139736

IUPAC[4-[[2-(4-fluorophenoxy)-5-(trifluoromethyl)benzoyl]amino]-2-oxo-1H-pyridin-3-yl]methyl dihydrogen phosphate
SMILESO=C(Nc1cc[nH]c(=O)c1COP(=O)(O)O)c1cc(C(F)(F)F)ccc1Oc1ccc(F)cc1
InChIInChI=1S/C20H15F4N2O7P/c21-12-2-4-13(5-3-12)33-17-6-1-11(20(22,23)24)9-14(17)19(28)26-16-7-8-25-18(27)15(16)10-32-34(29,30)31/h1-9H,10H2,(H2,29,30,31)(H2,25,26,27,28)
InChIKeyHZURWINTEPVAOL-UHFFFAOYSA-N
MW502.31 g/mol
LogP4.19
Rot. Bonds7

About [4-[[2-(4-fluorophenoxy)-5-(trifluoromethyl)benzoyl]amino]-2-oxo-1H-pyridin-3-yl]methyl dihydrogen phosphate

[4-[[2-(4-fluorophenoxy)-5-(trifluoromethyl)benzoyl]amino]-2-oxo-1H-pyridin-3-yl]methyl dihydrogen phosphate (PubChem CID 118139736) has the molecular formula C20H15F4N2O7P and a molecular weight of 502.31 g/mol. Its IUPAC name is [4-[[2-(4-fluorophenoxy)-5-(trifluoromethyl)benzoyl]amino]-2-oxo-1H-pyridin-3-yl]methyl dihydrogen phosphate.

Molecular Properties

Compound Name[4-[[2-(4-fluorophenoxy)-5-(trifluoromethyl)benzoyl]amino]-2-oxo-1H-pyridin-3-yl]methyl dihydrogen phosphate
PubChem CID118139736
Molecular FormulaC20H15F4N2O7P
Molecular Weight502.31 g/mol
Exact Mass502.06
IUPAC Name[4-[[2-(4-fluorophenoxy)-5-(trifluoromethyl)benzoyl]amino]-2-oxo-1H-pyridin-3-yl]methyl dihydrogen phosphate
SMILESO=C(Nc1cc[nH]c(=O)c1COP(=O)(O)O)c1cc(C(F)(F)F)ccc1Oc1ccc(F)cc1
InChIInChI=1S/C20H15F4N2O7P/c21-12-2-4-13(5-3-12)33-17-6-1-11(20(22,23)24)9-14(17)19(28)26-16-7-8-25-18(27)15(16)10-32-34(29,30)31/h1-9H,10H2,(H2,29,30,31)(H2,25,26,27,28)
InChIKeyHZURWINTEPVAOL-UHFFFAOYSA-N
XLogP4.19
TPSA137.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.31
LogP ≤ 54.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[[2-(2-chloro-4-fluorophenoxy)-5-(trifluoromethyl)benzoyl]amino]-2-oxo-1H-pyridin-3-yl]methyl dihydrogen phosphate
CID 118139839
[4-[[4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzoyl]amino]-2-oxo-1H-pyridin-3-yl]methyl dihydrogen phosphate
CID 118139745
N-(2-oxo-1H-pyridin-4-yl)-2-(4-propoxyphenoxy)-5-(trifluoromethyl)benzamide
CID 78323101
ditert-butyl [4-[[2-(4-fluorophenoxy)-5-(trifluoromethyl)benzoyl]amino]-2-oxo-1-pyridinyl]methyl phosphate
CID 118151585
N-[2-(4-cyanophenoxy)-5-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 2797721
2-chloro-N-[2-(4-fluorophenoxy)-5-(trifluoromethyl)phenyl]-5-nitrobenzamide
CID 132822569
2-(4-chloro-2-fluorophenoxy)-N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)benzamide
CID 78323102
4-chloro-2-fluorophenol;2-(4-chloro-2-fluorophenoxy)-N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)benzamide
CID 160785317
N-(2-oxo-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxybenzamide
CID 162620602
5-fluoro-N-(2-oxo-1H-pyridin-4-yl)-2-(4-propan-2-ylphenoxy)benzamide
CID 78320582
N-(2-oxo-3,4-dihydro-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenoxy]benzamide
CID 126636503
N-(2-oxo-1H-pyridin-4-yl)-2-(4,4,4-trifluorobutoxy)-5-(trifluoromethyl)benzamide
CID 90302339

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4-fluorophenoxy)-5-(trifluoromethyl)benzoyl]amino]-2-oxo-1H-pyridin-3-yl]methyl dihydrogen phosphate?
The IUPAC name of [4-[[2-(4-fluorophenoxy)-5-(trifluoromethyl)benzoyl]amino]-2-oxo-1H-pyridin-3-yl]methyl dihydrogen phosphate (CID 118139736) is [4-[[2-(4-fluorophenoxy)-5-(trifluoromethyl)benzoyl]amino]-2-oxo-1H-pyridin-3-yl]methyl dihydrogen phosphate.
What is the SMILES notation for [4-[[2-(4-fluorophenoxy)-5-(trifluoromethyl)benzoyl]amino]-2-oxo-1H-pyridin-3-yl]methyl dihydrogen phosphate?
The canonical SMILES for [4-[[2-(4-fluorophenoxy)-5-(trifluoromethyl)benzoyl]amino]-2-oxo-1H-pyridin-3-yl]methyl dihydrogen phosphate is O=C(Nc1cc[nH]c(=O)c1COP(=O)(O)O)c1cc(C(F)(F)F)ccc1Oc1ccc(F)cc1.
What is the InChIKey of [4-[[2-(4-fluorophenoxy)-5-(trifluoromethyl)benzoyl]amino]-2-oxo-1H-pyridin-3-yl]methyl dihydrogen phosphate?
The InChIKey is HZURWINTEPVAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N2O7P/c21-12-2-4-13(5-3-12)33-17-6-1-11(20(22,23)24)9-14(17)19(28)26-16-7-8-25-18(27)15(16)10-32-34(29,30)31/h1-9H,10H2,(H2,29,30,31)(H2,25,26,27,28).
What are the key properties of [4-[[2-(4-fluorophenoxy)-5-(trifluoromethyl)benzoyl]amino]-2-oxo-1H-pyridin-3-yl]methyl dihydrogen phosphate?
[4-[[2-(4-fluorophenoxy)-5-(trifluoromethyl)benzoyl]amino]-2-oxo-1H-pyridin-3-yl]methyl dihydrogen phosphate has a molecular weight of 502.31 g/mol, XLogP of 4.19, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(4-fluorophenoxy)-5-(trifluoromethyl)benzoyl]amino]-2-oxo-1H-pyridin-3-yl]methyl dihydrogen phosphate is sourced from PubChem (CID 118139736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).