N-(3-chlorophenyl)-2-[3-[(3,5-dimethylphenyl)methyl]-2,4-dioxopyrimidin-1-yl]acetamide

C21H20ClN3O3 — CID 118727223

IUPACN-(3-chlorophenyl)-2-[3-[(3,5-dimethylphenyl)methyl]-2,4-dioxopyrimidin-1-yl]acetamide
SMILESCc1cc(C)cc(Cn2c(=O)ccn(CC(=O)Nc3cccc(Cl)c3)c2=O)c1
InChIInChI=1S/C21H20ClN3O3/c1-14-8-15(2)10-16(9-14)12-25-20(27)6-7-24(21(25)28)13-19(26)23-18-5-3-4-17(22)11-18/h3-11H,12-13H2,1-2H3,(H,23,26)
InChIKeyNHEGJNVSNJBFHC-UHFFFAOYSA-N
MW397.86 g/mol
LogP2.97
Rot. Bonds5

About N-(3-chlorophenyl)-2-[3-[(3,5-dimethylphenyl)methyl]-2,4-dioxopyrimidin-1-yl]acetamide

N-(3-chlorophenyl)-2-[3-[(3,5-dimethylphenyl)methyl]-2,4-dioxopyrimidin-1-yl]acetamide (PubChem CID 118727223) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[3-[(3,5-dimethylphenyl)methyl]-2,4-dioxopyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[3-[(3,5-dimethylphenyl)methyl]-2,4-dioxopyrimidin-1-yl]acetamide
PubChem CID118727223
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC NameN-(3-chlorophenyl)-2-[3-[(3,5-dimethylphenyl)methyl]-2,4-dioxopyrimidin-1-yl]acetamide
SMILESCc1cc(C)cc(Cn2c(=O)ccn(CC(=O)Nc3cccc(Cl)c3)c2=O)c1
InChIInChI=1S/C21H20ClN3O3/c1-14-8-15(2)10-16(9-14)12-25-20(27)6-7-24(21(25)28)13-19(26)23-18-5-3-4-17(22)11-18/h3-11H,12-13H2,1-2H3,(H,23,26)
InChIKeyNHEGJNVSNJBFHC-UHFFFAOYSA-N
XLogP2.97
TPSA73.10 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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(3,5-dimethylphenyl)methyl]-2,4-dioxopyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 118727222
N-(3-chlorophenyl)-2-(2-methylimidazol-1-yl)acetamide
CID 60724518
N-(3-chlorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679492
N-(3,5-dimethylphenyl)-2-[3-[(2-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
CID 50755388
N-(3-chlorophenyl)-2-(3-methylphenyl)acetamide
CID 9497443
2-(6-chloroindol-1-yl)-N-(3-methylphenyl)acetamide
CID 115590570
2-(3-ethyl-2-oxoimidazol-1-yl)-N-(3-methylphenyl)acetamide
CID 116624138
N-(3-chlorophenyl)-2-[3-(3,5-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 46857114
N-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)acetamide
CID 115616708
3-[(3,5-dimethylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
CID 11630997
N-(3-chlorophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66400972
N-(3-chlorophenyl)-2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]acetamide
CID 172906489

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[3-[(3,5-dimethylphenyl)methyl]-2,4-dioxopyrimidin-1-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[3-[(3,5-dimethylphenyl)methyl]-2,4-dioxopyrimidin-1-yl]acetamide (CID 118727223) is N-(3-chlorophenyl)-2-[3-[(3,5-dimethylphenyl)methyl]-2,4-dioxopyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[3-[(3,5-dimethylphenyl)methyl]-2,4-dioxopyrimidin-1-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[3-[(3,5-dimethylphenyl)methyl]-2,4-dioxopyrimidin-1-yl]acetamide is Cc1cc(C)cc(Cn2c(=O)ccn(CC(=O)Nc3cccc(Cl)c3)c2=O)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[3-[(3,5-dimethylphenyl)methyl]-2,4-dioxopyrimidin-1-yl]acetamide?
The InChIKey is NHEGJNVSNJBFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-14-8-15(2)10-16(9-14)12-25-20(27)6-7-24(21(25)28)13-19(26)23-18-5-3-4-17(22)11-18/h3-11H,12-13H2,1-2H3,(H,23,26).
What are the key properties of N-(3-chlorophenyl)-2-[3-[(3,5-dimethylphenyl)methyl]-2,4-dioxopyrimidin-1-yl]acetamide?
N-(3-chlorophenyl)-2-[3-[(3,5-dimethylphenyl)methyl]-2,4-dioxopyrimidin-1-yl]acetamide has a molecular weight of 397.86 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[3-[(3,5-dimethylphenyl)methyl]-2,4-dioxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 118727223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).