N-(3-acetylphenyl)-2-[4-ethyl-2-(3-fluorophenyl)-6-oxopyrimidin-1-yl]acetamide

C22H20FN3O3 — CID 91887481

IUPACN-(3-acetylphenyl)-2-[4-ethyl-2-(3-fluorophenyl)-6-oxopyrimidin-1-yl]acetamide
SMILESCCc1cc(=O)n(CC(=O)Nc2cccc(C(C)=O)c2)c(-c2cccc(F)c2)n1
InChIInChI=1S/C22H20FN3O3/c1-3-18-12-21(29)26(22(25-18)16-7-4-8-17(23)10-16)13-20(28)24-19-9-5-6-15(11-19)14(2)27/h4-12H,3,13H2,1-2H3,(H,24,28)
InChIKeyIPFOREYUWBTAMY-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.45
Rot. Bonds6

About N-(3-acetylphenyl)-2-[4-ethyl-2-(3-fluorophenyl)-6-oxopyrimidin-1-yl]acetamide

N-(3-acetylphenyl)-2-[4-ethyl-2-(3-fluorophenyl)-6-oxopyrimidin-1-yl]acetamide (PubChem CID 91887481) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[4-ethyl-2-(3-fluorophenyl)-6-oxopyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[4-ethyl-2-(3-fluorophenyl)-6-oxopyrimidin-1-yl]acetamide
PubChem CID91887481
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC NameN-(3-acetylphenyl)-2-[4-ethyl-2-(3-fluorophenyl)-6-oxopyrimidin-1-yl]acetamide
SMILESCCc1cc(=O)n(CC(=O)Nc2cccc(C(C)=O)c2)c(-c2cccc(F)c2)n1
InChIInChI=1S/C22H20FN3O3/c1-3-18-12-21(29)26(22(25-18)16-7-4-8-17(23)10-16)13-20(28)24-19-9-5-6-15(11-19)14(2)27/h4-12H,3,13H2,1-2H3,(H,24,28)
InChIKeyIPFOREYUWBTAMY-UHFFFAOYSA-N
XLogP3.45
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-acetylphenyl)-2-[4-ethyl-2-(3-fluorophenyl)-6-oxopyrimidin-1-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[4-ethyl-2-(3-fluorophenyl)-6-oxopyrimidin-1-yl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[4-ethyl-2-(3-fluorophenyl)-6-oxopyrimidin-1-yl]acetamide (CID 91887481) is N-(3-acetylphenyl)-2-[4-ethyl-2-(3-fluorophenyl)-6-oxopyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[4-ethyl-2-(3-fluorophenyl)-6-oxopyrimidin-1-yl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[4-ethyl-2-(3-fluorophenyl)-6-oxopyrimidin-1-yl]acetamide is CCc1cc(=O)n(CC(=O)Nc2cccc(C(C)=O)c2)c(-c2cccc(F)c2)n1.
What is the InChIKey of N-(3-acetylphenyl)-2-[4-ethyl-2-(3-fluorophenyl)-6-oxopyrimidin-1-yl]acetamide?
The InChIKey is IPFOREYUWBTAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3/c1-3-18-12-21(29)26(22(25-18)16-7-4-8-17(23)10-16)13-20(28)24-19-9-5-6-15(11-19)14(2)27/h4-12H,3,13H2,1-2H3,(H,24,28).
What are the key properties of N-(3-acetylphenyl)-2-[4-ethyl-2-(3-fluorophenyl)-6-oxopyrimidin-1-yl]acetamide?
N-(3-acetylphenyl)-2-[4-ethyl-2-(3-fluorophenyl)-6-oxopyrimidin-1-yl]acetamide has a molecular weight of 393.42 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[4-ethyl-2-(3-fluorophenyl)-6-oxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 91887481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).