4,5-dichloro-N-(1-ethyl-2-oxo-4-pyridinyl)-2-(4-fluoro-2-methoxyphenoxy)benzamide

C21H17Cl2FN2O4 — CID 138493367

IUPAC4,5-dichloro-N-(1-ethyl-2-oxo-4-pyridinyl)-2-(4-fluoro-2-methoxyphenoxy)benzamide
SMILESCCn1ccc(NC(=O)c2cc(Cl)c(Cl)cc2Oc2ccc(F)cc2OC)cc1=O
InChIInChI=1S/C21H17Cl2FN2O4/c1-3-26-7-6-13(9-20(26)27)25-21(28)14-10-15(22)16(23)11-18(14)30-17-5-4-12(24)8-19(17)29-2/h4-11H,3H2,1-2H3,(H,25,28)
InChIKeyQXDXGWWKBAHFEN-UHFFFAOYSA-N
MW451.28 g/mol
LogP5.37
Rot. Bonds6

About 4,5-dichloro-N-(1-ethyl-2-oxo-4-pyridinyl)-2-(4-fluoro-2-methoxyphenoxy)benzamide

4,5-dichloro-N-(1-ethyl-2-oxo-4-pyridinyl)-2-(4-fluoro-2-methoxyphenoxy)benzamide (PubChem CID 138493367) has the molecular formula C21H17Cl2FN2O4 and a molecular weight of 451.28 g/mol. Its IUPAC name is 4,5-dichloro-N-(1-ethyl-2-oxo-4-pyridinyl)-2-(4-fluoro-2-methoxyphenoxy)benzamide.

Molecular Properties

Compound Name4,5-dichloro-N-(1-ethyl-2-oxo-4-pyridinyl)-2-(4-fluoro-2-methoxyphenoxy)benzamide
PubChem CID138493367
Molecular FormulaC21H17Cl2FN2O4
Molecular Weight451.28 g/mol
Exact Mass450.05
IUPAC Name4,5-dichloro-N-(1-ethyl-2-oxo-4-pyridinyl)-2-(4-fluoro-2-methoxyphenoxy)benzamide
SMILESCCn1ccc(NC(=O)c2cc(Cl)c(Cl)cc2Oc2ccc(F)cc2OC)cc1=O
InChIInChI=1S/C21H17Cl2FN2O4/c1-3-26-7-6-13(9-20(26)27)25-21(28)14-10-15(22)16(23)11-18(14)30-17-5-4-12(24)8-19(17)29-2/h4-11H,3H2,1-2H3,(H,25,28)
InChIKeyQXDXGWWKBAHFEN-UHFFFAOYSA-N
XLogP5.37
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.28
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tris[[4-[[4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzoyl]amino]-2-oxo-1-pyridinyl]methyl] phosphate
CID 118126627
[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-(4-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzamide
CID 137406676
tris[[4-[[2-(4-fluoro-2-methoxyphenoxy)-4-(1,1,2,2,2-pentafluoroethyl)benzoyl]amino]-2-oxo-1-pyridinyl]methyl] phosphate
CID 138487369
azane;N-[1-(chloromethyl)-2-oxo-4-pyridinyl]-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)benzamide
CID 175149128
[4-[[4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzoyl]amino]-2-oxo-1H-pyridin-3-yl]methyl dihydrogen phosphate
CID 118139745
tris[[4-[[2-(4-fluoro-2-methylphenoxy)-5-(trifluoromethyl)benzoyl]amino]-2-oxo-1-pyridinyl]methyl] phosphate
CID 138487376
N-(3-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methylphenoxy)benzamide
CID 137406555
N-(4-acetamidophenyl)-5-fluoro-2-methoxybenzamide
CID 31063829
[3-[4-[[4-chloro-2-(4-fluoro-2-methylphenoxy)benzoyl]amino]-2-oxo-1-pyridinyl]-2,2,4,4-tetramethylpentan-3-yl] dihydrogen phosphate
CID 118646108
4-[[4-[[4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzoyl]amino]-6-oxopyridazin-1-yl]methoxy]-4-oxobutanoic acid;(Z)-4-[[4-[[4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzoyl]amino]-6-oxopyridazin-1-yl]methoxy]-4-oxobut-2-enoic acid;(E)-4-[[4-[[4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzoyl]amino]-6-oxopyridazin-1-yl]methoxy]-4-oxobut-2-enoic acid;4-[[4-[[4,5-dichloro-2-(4-fluoro-2-methylphenoxy)benzoyl]amino]-6-oxopyridazin-1-yl]methoxy]-2,3-dihydroxy-4-oxobutanoic acid
CID 164969919
2,5-dichloro-N-(3-fluoro-4-methoxyphenyl)-4-methoxybenzamide
CID 167851526

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-(1-ethyl-2-oxo-4-pyridinyl)-2-(4-fluoro-2-methoxyphenoxy)benzamide?
The IUPAC name of 4,5-dichloro-N-(1-ethyl-2-oxo-4-pyridinyl)-2-(4-fluoro-2-methoxyphenoxy)benzamide (CID 138493367) is 4,5-dichloro-N-(1-ethyl-2-oxo-4-pyridinyl)-2-(4-fluoro-2-methoxyphenoxy)benzamide.
What is the SMILES notation for 4,5-dichloro-N-(1-ethyl-2-oxo-4-pyridinyl)-2-(4-fluoro-2-methoxyphenoxy)benzamide?
The canonical SMILES for 4,5-dichloro-N-(1-ethyl-2-oxo-4-pyridinyl)-2-(4-fluoro-2-methoxyphenoxy)benzamide is CCn1ccc(NC(=O)c2cc(Cl)c(Cl)cc2Oc2ccc(F)cc2OC)cc1=O.
What is the InChIKey of 4,5-dichloro-N-(1-ethyl-2-oxo-4-pyridinyl)-2-(4-fluoro-2-methoxyphenoxy)benzamide?
The InChIKey is QXDXGWWKBAHFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2FN2O4/c1-3-26-7-6-13(9-20(26)27)25-21(28)14-10-15(22)16(23)11-18(14)30-17-5-4-12(24)8-19(17)29-2/h4-11H,3H2,1-2H3,(H,25,28).
What are the key properties of 4,5-dichloro-N-(1-ethyl-2-oxo-4-pyridinyl)-2-(4-fluoro-2-methoxyphenoxy)benzamide?
4,5-dichloro-N-(1-ethyl-2-oxo-4-pyridinyl)-2-(4-fluoro-2-methoxyphenoxy)benzamide has a molecular weight of 451.28 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-(1-ethyl-2-oxo-4-pyridinyl)-2-(4-fluoro-2-methoxyphenoxy)benzamide is sourced from PubChem (CID 138493367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).