2-[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(3,4,5-trimethoxyphenyl)acetamide

C22H22ClN3O5 — CID 95922519

IUPAC2-[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)COc2cc(C)nc(-c3cccc(Cl)c3)n2)cc(OC)c1OC
InChIInChI=1S/C22H22ClN3O5/c1-13-8-20(26-22(24-13)14-6-5-7-15(23)9-14)31-12-19(27)25-16-10-17(28-2)21(30-4)18(11-16)29-3/h5-11H,12H2,1-4H3,(H,25,27)
InChIKeyJLKVBFVOWZERAR-UHFFFAOYSA-N
MW443.89 g/mol
LogP4.15
Rot. Bonds8

About 2-[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(3,4,5-trimethoxyphenyl)acetamide

2-[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 95922519) has the molecular formula C22H22ClN3O5 and a molecular weight of 443.89 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID95922519
Molecular FormulaC22H22ClN3O5
Molecular Weight443.89 g/mol
Exact Mass443.12
IUPAC Name2-[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)COc2cc(C)nc(-c3cccc(Cl)c3)n2)cc(OC)c1OC
InChIInChI=1S/C22H22ClN3O5/c1-13-8-20(26-22(24-13)14-6-5-7-15(23)9-14)31-12-19(27)25-16-10-17(28-2)21(30-4)18(11-16)29-3/h5-11H,12H2,1-4H3,(H,25,27)
InChIKeyJLKVBFVOWZERAR-UHFFFAOYSA-N
XLogP4.15
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.89
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(3,4,5-trimethoxyphenyl)acetamide
CID 95922334
N-(3-chlorophenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide
CID 53136820
2-[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 95922508
2-[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(4-fluorophenyl)acetamide
CID 53136870
2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxy-N-(2-methoxyphenyl)acetamide
CID 95922480
N-(3-chlorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 78793058
N-(2-methoxyphenyl)-2-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)oxyacetamide
CID 95923161
N-(3-ethylphenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide
CID 53136811
2-(3-chlorophenyl)-4-[(3-methoxyphenyl)methoxy]-6-methylpyrimidine
CID 95922512
2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 51369001
methyl 4-[[2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetyl]amino]benzoate
CID 53136850
N-(3-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
CID 108987070

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(3,4,5-trimethoxyphenyl)acetamide (CID 95922519) is 2-[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)COc2cc(C)nc(-c3cccc(Cl)c3)n2)cc(OC)c1OC.
What is the InChIKey of 2-[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is JLKVBFVOWZERAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O5/c1-13-8-20(26-22(24-13)14-6-5-7-15(23)9-14)31-12-19(27)25-16-10-17(28-2)21(30-4)18(11-16)29-3/h5-11H,12H2,1-4H3,(H,25,27).
What are the key properties of 2-[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(3,4,5-trimethoxyphenyl)acetamide?
2-[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 443.89 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]oxy-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 95922519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).