2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-fluorophenyl)acetamide

C21H19ClFN3O3 — CID 51368965

IUPAC2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESCc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2ccccc2F)c(=O)c1CCO
InChIInChI=1S/C21H19ClFN3O3/c1-13-16(9-10-27)21(29)26(20(24-13)14-5-4-6-15(22)11-14)12-19(28)25-18-8-3-2-7-17(18)23/h2-8,11,27H,9-10,12H2,1H3,(H,25,28)
InChIKeyJIHNTVUFBFNNFZ-UHFFFAOYSA-N
MW415.85 g/mol
LogP3.18
Rot. Bonds6

About 2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-fluorophenyl)acetamide

2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 51368965) has the molecular formula C21H19ClFN3O3 and a molecular weight of 415.85 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-fluorophenyl)acetamide
PubChem CID51368965
Molecular FormulaC21H19ClFN3O3
Molecular Weight415.85 g/mol
Exact Mass415.11
IUPAC Name2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESCc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2ccccc2F)c(=O)c1CCO
InChIInChI=1S/C21H19ClFN3O3/c1-13-16(9-10-27)21(29)26(20(24-13)14-5-4-6-15(22)11-14)12-19(28)25-18-8-3-2-7-17(18)23/h2-8,11,27H,9-10,12H2,1H3,(H,25,28)
InChIKeyJIHNTVUFBFNNFZ-UHFFFAOYSA-N
XLogP3.18
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.85
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-fluorophenyl)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 2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-fluorophenyl)acetamide (CID 51368965) is 2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-fluorophenyl)acetamide is Cc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2ccccc2F)c(=O)c1CCO.
What is the InChIKey of 2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is JIHNTVUFBFNNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3O3/c1-13-16(9-10-27)21(29)26(20(24-13)14-5-4-6-15(22)11-14)12-19(28)25-18-8-3-2-7-17(18)23/h2-8,11,27H,9-10,12H2,1H3,(H,25,28).
What are the key properties of 2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-fluorophenyl)acetamide?
2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 415.85 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 51368965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).