2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxy-N-[(4-methylphenyl)methyl]acetamide

C22H22ClN3O2 — CID 95922483

IUPAC2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxy-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)COc2nc(-c3cccc(Cl)c3)nc(C)c2C)cc1
InChIInChI=1S/C22H22ClN3O2/c1-14-7-9-17(10-8-14)12-24-20(27)13-28-22-15(2)16(3)25-21(26-22)18-5-4-6-19(23)11-18/h4-11H,12-13H2,1-3H3,(H,24,27)
InChIKeyPTHVQVWVZVXRRG-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.42
Rot. Bonds6

About 2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxy-N-[(4-methylphenyl)methyl]acetamide

2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxy-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 95922483) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxy-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxy-N-[(4-methylphenyl)methyl]acetamide
PubChem CID95922483
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxy-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)COc2nc(-c3cccc(Cl)c3)nc(C)c2C)cc1
InChIInChI=1S/C22H22ClN3O2/c1-14-7-9-17(10-8-14)12-24-20(27)13-28-22-15(2)16(3)25-21(26-22)18-5-4-6-19(23)11-18/h4-11H,12-13H2,1-3H3,(H,24,27)
InChIKeyPTHVQVWVZVXRRG-UHFFFAOYSA-N
XLogP4.42
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxyacetate
CID 95922488
2-(5,6-dimethyl-2-pyrazin-2-ylpyrimidin-4-yl)oxy-N-[(4-methylphenyl)methyl]acetamide
CID 95922354
2-[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 95921669
2-(2-bromo-4-chlorophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 1289065
N-[(4-methylphenyl)methyl]-2-(2-phenylquinolin-4-yl)oxyacetamide
CID 46298662
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 43952642
N-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)acetamide
CID 17071179
N-[2-(3-chlorophenyl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide
CID 108945758
methyl 4-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]benzoate
CID 7688183
2-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]acetamide
CID 110477641
N-(3-chlorophenyl)-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethoxy]benzamide
CID 162640903
N-[2-(3-chlorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256254

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxy-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxy-N-[(4-methylphenyl)methyl]acetamide (CID 95922483) is 2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxy-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxy-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxy-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)COc2nc(-c3cccc(Cl)c3)nc(C)c2C)cc1.
What is the InChIKey of 2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxy-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is PTHVQVWVZVXRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-14-7-9-17(10-8-14)12-24-20(27)13-28-22-15(2)16(3)25-21(26-22)18-5-4-6-19(23)11-18/h4-11H,12-13H2,1-3H3,(H,24,27).
What are the key properties of 2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxy-N-[(4-methylphenyl)methyl]acetamide?
2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxy-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 395.89 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxy-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 95922483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).