2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[2-(trifluoromethoxy)phenyl]acetamide

C21H18F3N3O4 — CID 121063835

IUPAC2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[2-(trifluoromethoxy)phenyl]acetamide
SMILESCCOc1ccc(-c2cc(=O)n(CC(=O)Nc3ccccc3OC(F)(F)F)cn2)cc1
InChIInChI=1S/C21H18F3N3O4/c1-2-30-15-9-7-14(8-10-15)17-11-20(29)27(13-25-17)12-19(28)26-16-5-3-4-6-18(16)31-21(22,23)24/h3-11,13H,2,12H2,1H3,(H,26,28)
InChIKeyOTRMIHLPELEWAZ-UHFFFAOYSA-N
MW433.39 g/mol
LogP3.85
Rot. Bonds7

About 2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[2-(trifluoromethoxy)phenyl]acetamide

2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[2-(trifluoromethoxy)phenyl]acetamide (PubChem CID 121063835) has the molecular formula C21H18F3N3O4 and a molecular weight of 433.39 g/mol. Its IUPAC name is 2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[2-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[2-(trifluoromethoxy)phenyl]acetamide
PubChem CID121063835
Molecular FormulaC21H18F3N3O4
Molecular Weight433.39 g/mol
Exact Mass433.12
IUPAC Name2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[2-(trifluoromethoxy)phenyl]acetamide
SMILESCCOc1ccc(-c2cc(=O)n(CC(=O)Nc3ccccc3OC(F)(F)F)cn2)cc1
InChIInChI=1S/C21H18F3N3O4/c1-2-30-15-9-7-14(8-10-15)17-11-20(29)27(13-25-17)12-19(28)26-16-5-3-4-6-18(16)31-21(22,23)24/h3-11,13H,2,12H2,1H3,(H,26,28)
InChIKeyOTRMIHLPELEWAZ-UHFFFAOYSA-N
XLogP3.85
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[2-(trifluoromethoxy)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]acetamide
CID 121063780
2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 30935496
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 121106800
2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-(4-methylsulfanylphenyl)acetamide
CID 121063779
2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 121063799
2-(4-methylphenoxy)-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 35202525
2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 121063810
ethyl 2-[[2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]acetyl]amino]benzoate
CID 30935895
2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 121063547
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 121064425
N-(2-chlorophenyl)-2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]acetamide
CID 30935880
N-(2-ethoxyphenyl)-2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 8542081

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[2-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[2-(trifluoromethoxy)phenyl]acetamide (CID 121063835) is 2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[2-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[2-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[2-(trifluoromethoxy)phenyl]acetamide is CCOc1ccc(-c2cc(=O)n(CC(=O)Nc3ccccc3OC(F)(F)F)cn2)cc1.
What is the InChIKey of 2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[2-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is OTRMIHLPELEWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O4/c1-2-30-15-9-7-14(8-10-15)17-11-20(29)27(13-25-17)12-19(28)26-16-5-3-4-6-18(16)31-21(22,23)24/h3-11,13H,2,12H2,1H3,(H,26,28).
What are the key properties of 2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[2-(trifluoromethoxy)phenyl]acetamide?
2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[2-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 433.39 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[2-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 121063835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).