N-(3-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide

C21H20ClN3O3 — CID 51370568

IUPACN-(3-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
SMILESCOc1ccc(-c2nc(C)cc(=O)n2CC(=O)Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C21H20ClN3O3/c1-13-4-7-16(11-18(13)22)24-19(26)12-25-20(27)10-14(2)23-21(25)15-5-8-17(28-3)9-6-15/h4-11H,12H2,1-3H3,(H,24,26)
InChIKeyAGUYKPWLVYSLSR-UHFFFAOYSA-N
MW397.86 g/mol
LogP3.83
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide

N-(3-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide (PubChem CID 51370568) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
PubChem CID51370568
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
SMILESCOc1ccc(-c2nc(C)cc(=O)n2CC(=O)Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C21H20ClN3O3/c1-13-4-7-16(11-18(13)22)24-19(26)12-25-20(27)10-14(2)23-21(25)15-5-8-17(28-3)9-6-15/h4-11H,12H2,1-3H3,(H,24,26)
InChIKeyAGUYKPWLVYSLSR-UHFFFAOYSA-N
XLogP3.83
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 91887414
2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide
CID 91887523
N-(1,3-benzodioxol-5-yl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51370618
2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(4-methylphenyl)acetamide
CID 91887505
N-(2-ethyl-6-methylphenyl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51370603
N-(3-fluoro-4-methylphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide
CID 91887493
N-(3-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 18592253
2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 91887534
2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-N-(4-methylphenyl)acetamide
CID 79370542
N-(3-chloro-4-methylphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7491692
N-(3,4-dimethylphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033048
N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51370633

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide (CID 51370568) is N-(3-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide is COc1ccc(-c2nc(C)cc(=O)n2CC(=O)Nc2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide?
The InChIKey is AGUYKPWLVYSLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-13-4-7-16(11-18(13)22)24-19(26)12-25-20(27)10-14(2)23-21(25)15-5-8-17(28-3)9-6-15/h4-11H,12H2,1-3H3,(H,24,26).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide?
N-(3-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide has a molecular weight of 397.86 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 51370568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).