[4-[[4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzoyl]amino]-2-oxo-1H-pyridin-3-yl]methyl dihydrogen phosphate

C20H16Cl2FN2O8P — CID 118139745

IUPAC[4-[[4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzoyl]amino]-2-oxo-1H-pyridin-3-yl]methyl dihydrogen phosphate
SMILESCOc1cc(F)ccc1Oc1cc(Cl)c(Cl)cc1C(=O)Nc1cc[nH]c(=O)c1COP(=O)(O)O
InChIInChI=1S/C20H16Cl2FN2O8P/c1-31-18-6-10(23)2-3-16(18)33-17-8-14(22)13(21)7-11(17)20(27)25-15-4-5-24-19(26)12(15)9-32-34(28,29)30/h2-8H,9H2,1H3,(H2,28,29,30)(H2,24,25,26,27)
InChIKeyCFONUDOULKEILV-UHFFFAOYSA-N
MW533.23 g/mol
LogP4.48
Rot. Bonds8

About [4-[[4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzoyl]amino]-2-oxo-1H-pyridin-3-yl]methyl dihydrogen phosphate

[4-[[4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzoyl]amino]-2-oxo-1H-pyridin-3-yl]methyl dihydrogen phosphate (PubChem CID 118139745) has the molecular formula C20H16Cl2FN2O8P and a molecular weight of 533.23 g/mol. Its IUPAC name is [4-[[4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzoyl]amino]-2-oxo-1H-pyridin-3-yl]methyl dihydrogen phosphate.

Molecular Properties

Compound Name[4-[[4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzoyl]amino]-2-oxo-1H-pyridin-3-yl]methyl dihydrogen phosphate
PubChem CID118139745
Molecular FormulaC20H16Cl2FN2O8P
Molecular Weight533.23 g/mol
Exact Mass532.00
IUPAC Name[4-[[4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzoyl]amino]-2-oxo-1H-pyridin-3-yl]methyl dihydrogen phosphate
SMILESCOc1cc(F)ccc1Oc1cc(Cl)c(Cl)cc1C(=O)Nc1cc[nH]c(=O)c1COP(=O)(O)O
InChIInChI=1S/C20H16Cl2FN2O8P/c1-31-18-6-10(23)2-3-16(18)33-17-8-14(22)13(21)7-11(17)20(27)25-15-4-5-24-19(26)12(15)9-32-34(28,29)30/h2-8H,9H2,1H3,(H2,28,29,30)(H2,24,25,26,27)
InChIKeyCFONUDOULKEILV-UHFFFAOYSA-N
XLogP4.48
TPSA147.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.23
LogP ≤ 54.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-[[2-(4-fluorophenoxy)-5-(trifluoromethyl)benzoyl]amino]-2-oxo-1H-pyridin-3-yl]methyl dihydrogen phosphate
CID 118139736
tris[[4-[[4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzoyl]amino]-2-oxo-1-pyridinyl]methyl] phosphate
CID 118126627
N-(4-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzamide
CID 137406676
4,5-dichloro-N-(1-ethyl-2-oxo-4-pyridinyl)-2-(4-fluoro-2-methoxyphenoxy)benzamide
CID 138493367
[3-[4-[[4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzoyl]amino]-2-oxo-1-pyridinyl]-2,2,4,4-tetramethylpentan-3-yl] dihydrogen phosphate
CID 118646124
N-(2-chloro-4,5-dimethoxyphenyl)-2,5-difluorobenzamide
CID 18139978
N-(5-chloro-2,4-dimethoxyphenyl)-2,4-difluorobenzamide
CID 7924034
2-chloro-4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-5-[(2,4,5-trimethoxybenzoyl)amino]benzamide
CID 24811698
4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzaldehyde
CID 90314663
N-(2-chloro-5-fluorophenyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717937
N-(4-fluoro-2-methoxyphenyl)-2,3-dihydroxybenzamide
CID 114344130

Frequently Asked Questions

What is the IUPAC name of [4-[[4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzoyl]amino]-2-oxo-1H-pyridin-3-yl]methyl dihydrogen phosphate?
The IUPAC name of [4-[[4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzoyl]amino]-2-oxo-1H-pyridin-3-yl]methyl dihydrogen phosphate (CID 118139745) is [4-[[4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzoyl]amino]-2-oxo-1H-pyridin-3-yl]methyl dihydrogen phosphate.
What is the SMILES notation for [4-[[4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzoyl]amino]-2-oxo-1H-pyridin-3-yl]methyl dihydrogen phosphate?
The canonical SMILES for [4-[[4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzoyl]amino]-2-oxo-1H-pyridin-3-yl]methyl dihydrogen phosphate is COc1cc(F)ccc1Oc1cc(Cl)c(Cl)cc1C(=O)Nc1cc[nH]c(=O)c1COP(=O)(O)O.
What is the InChIKey of [4-[[4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzoyl]amino]-2-oxo-1H-pyridin-3-yl]methyl dihydrogen phosphate?
The InChIKey is CFONUDOULKEILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2FN2O8P/c1-31-18-6-10(23)2-3-16(18)33-17-8-14(22)13(21)7-11(17)20(27)25-15-4-5-24-19(26)12(15)9-32-34(28,29)30/h2-8H,9H2,1H3,(H2,28,29,30)(H2,24,25,26,27).
What are the key properties of [4-[[4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzoyl]amino]-2-oxo-1H-pyridin-3-yl]methyl dihydrogen phosphate?
[4-[[4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzoyl]amino]-2-oxo-1H-pyridin-3-yl]methyl dihydrogen phosphate has a molecular weight of 533.23 g/mol, XLogP of 4.48, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzoyl]amino]-2-oxo-1H-pyridin-3-yl]methyl dihydrogen phosphate is sourced from PubChem (CID 118139745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).