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

C22H21ClFN3O3 — CID 51369046

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

N-[(2-chlorophenyl)methyl]-2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide (PubChem CID 51369046) has the molecular formula C22H21ClFN3O3 and a molecular weight of 429.88 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
• PubChem CID: 51369046
• Molecular Formula: C22H21ClFN3O3
• Molecular Weight: 429.88 g/mol
• Exact Mass: 429.13
• IUPAC Name: N-[(2-chlorophenyl)methyl]-2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
• SMILES: Cc1nc(-c2cccc(F)c2)n(CC(=O)NCc2ccccc2Cl)c(=O)c1CCO
• InChI: InChI=1S/C22H21ClFN3O3/c1-14-18(9-10-28)22(30)27(21(26-14)15-6-4-7-17(24)11-15)13-20(29)25-12-16-5-2-3-8-19(16)23/h2-8,11,28H,9-10,12-13H2,1H3,(H,25,29)
• InChIKey: GSBHGXGICDEBGG-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 84.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.88
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide?

The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide (CID 51369046) is N-[(2-chlorophenyl)methyl]-2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide.

What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide?

The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide is Cc1nc(-c2cccc(F)c2)n(CC(=O)NCc2ccccc2Cl)c(=O)c1CCO.

What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide?

The InChIKey is GSBHGXGICDEBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN3O3/c1-14-18(9-10-28)22(30)27(21(26-14)15-6-4-7-17(24)11-15)13-20(29)25-12-16-5-2-3-8-19(16)23/h2-8,11,28H,9-10,12-13H2,1H3,(H,25,29).

What are the key properties of N-[(2-chlorophenyl)methyl]-2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide?

N-[(2-chlorophenyl)methyl]-2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide has a molecular weight of 429.88 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chlorophenyl)methyl]-2-[2-(3-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 51369046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).