2-[6-ethyl-2-(3-fluorophenyl)pyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide

C21H20FN3O3 — CID 95923032

IUPAC2-[6-ethyl-2-(3-fluorophenyl)pyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide
SMILESCCc1cc(OCC(=O)Nc2ccccc2OC)nc(-c2cccc(F)c2)n1
InChIInChI=1S/C21H20FN3O3/c1-3-16-12-20(25-21(23-16)14-7-6-8-15(22)11-14)28-13-19(26)24-17-9-4-5-10-18(17)27-2/h4-12H,3,13H2,1-2H3,(H,24,26)
InChIKeyWMGPBSWUOGUETH-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.87
Rot. Bonds7

About 2-[6-ethyl-2-(3-fluorophenyl)pyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide

2-[6-ethyl-2-(3-fluorophenyl)pyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide (PubChem CID 95923032) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is 2-[6-ethyl-2-(3-fluorophenyl)pyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[6-ethyl-2-(3-fluorophenyl)pyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide
PubChem CID95923032
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name2-[6-ethyl-2-(3-fluorophenyl)pyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide
SMILESCCc1cc(OCC(=O)Nc2ccccc2OC)nc(-c2cccc(F)c2)n1
InChIInChI=1S/C21H20FN3O3/c1-3-16-12-20(25-21(23-16)14-7-6-8-15(22)11-14)28-13-19(26)24-17-9-4-5-10-18(17)27-2/h4-12H,3,13H2,1-2H3,(H,24,26)
InChIKeyWMGPBSWUOGUETH-UHFFFAOYSA-N
XLogP3.87
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-2-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)oxyacetamide
CID 95923161
2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide
CID 95922480
2-[2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(2-methylphenyl)acetamide
CID 45032644
N-(2-methoxyphenyl)-2-(3-pentoxyphenoxy)acetamide
CID 4733241
2-[(E)-[amino-(3-fluoro-4-methylphenyl)methylidene]amino]oxy-N-(2-methoxyphenyl)acetamide
CID 87021676
2-[1-(3-fluorophenyl)ethylamino]-N-(2-methoxyphenyl)acetamide
CID 42914238
[2-(2-methoxyanilino)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate
CID 2630002
2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 50754145
N-(2-ethoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 3891399
2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylphenyl)acetamide
CID 107694923
N-(2-ethoxy-4-fluorophenyl)-2-naphthalen-1-yloxyacetamide
CID 112837285
2-methylpropyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 24518174

Frequently Asked Questions

What is the IUPAC name of 2-[6-ethyl-2-(3-fluorophenyl)pyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[6-ethyl-2-(3-fluorophenyl)pyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide (CID 95923032) is 2-[6-ethyl-2-(3-fluorophenyl)pyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[6-ethyl-2-(3-fluorophenyl)pyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[6-ethyl-2-(3-fluorophenyl)pyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide is CCc1cc(OCC(=O)Nc2ccccc2OC)nc(-c2cccc(F)c2)n1.
What is the InChIKey of 2-[6-ethyl-2-(3-fluorophenyl)pyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide?
The InChIKey is WMGPBSWUOGUETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-3-16-12-20(25-21(23-16)14-7-6-8-15(22)11-14)28-13-19(26)24-17-9-4-5-10-18(17)27-2/h4-12H,3,13H2,1-2H3,(H,24,26).
What are the key properties of 2-[6-ethyl-2-(3-fluorophenyl)pyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide?
2-[6-ethyl-2-(3-fluorophenyl)pyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide has a molecular weight of 381.41 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-ethyl-2-(3-fluorophenyl)pyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 95923032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).