2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2,6-diethylphenyl)acetamide

C22H22ClN3O2 — CID 92648967

IUPAC2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C22H22ClN3O2/c1-3-14-6-5-7-15(4-2)20(14)25-19(27)12-17-13-24-21(26-22(17)28)16-8-10-18(23)11-9-16/h5-11,13H,3-4,12H2,1-2H3,(H,25,27)(H,24,26,28)
InChIKeyJGTFBWXQOPOCRG-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.40
Rot. Bonds6

About 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2,6-diethylphenyl)acetamide

2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2,6-diethylphenyl)acetamide (PubChem CID 92648967) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2,6-diethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2,6-diethylphenyl)acetamide
PubChem CID92648967
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C22H22ClN3O2/c1-3-14-6-5-7-15(4-2)20(14)25-19(27)12-17-13-24-21(26-22(17)28)16-8-10-18(23)11-9-16/h5-11,13H,3-4,12H2,1-2H3,(H,25,27)(H,24,26,28)
InChIKeyJGTFBWXQOPOCRG-UHFFFAOYSA-N
XLogP4.40
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 92648849
2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 92648982
2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2-phenoxyphenyl)acetamide
CID 92648971
2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 92648857
2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 92648916
2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 92649000
2-(2,6-dichlorophenyl)-N-(2,6-diethylphenyl)acetamide
CID 7700454
5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)-1H-pyrimidin-6-one
CID 92648935
2-(4-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108799350
5-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)-1H-pyrimidin-6-one
CID 92648941
N-[(2,6-diethylphenyl)methyl]-2-(4-methylphenyl)-1H-imidazol-5-amine
CID 174341735
2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108786151

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2,6-diethylphenyl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2,6-diethylphenyl)acetamide (CID 92648967) is 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2,6-diethylphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2,6-diethylphenyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2,6-diethylphenyl)acetamide is CCc1cccc(CC)c1NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O.
What is the InChIKey of 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2,6-diethylphenyl)acetamide?
The InChIKey is JGTFBWXQOPOCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-3-14-6-5-7-15(4-2)20(14)25-19(27)12-17-13-24-21(26-22(17)28)16-8-10-18(23)11-9-16/h5-11,13H,3-4,12H2,1-2H3,(H,25,27)(H,24,26,28).
What are the key properties of 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2,6-diethylphenyl)acetamide?
2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2,6-diethylphenyl)acetamide has a molecular weight of 395.89 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-(2,6-diethylphenyl)acetamide is sourced from PubChem (CID 92648967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).