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

C21H18ClF2N3O3 — CID 51368647

IUPAC2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2,5-difluorophenyl)acetamide
SMILESCc1nc(-c2ccc(Cl)cc2)n(CC(=O)Nc2cc(F)ccc2F)c(=O)c1CCO
InChIInChI=1S/C21H18ClF2N3O3/c1-12-16(8-9-28)21(30)27(20(25-12)13-2-4-14(22)5-3-13)11-19(29)26-18-10-15(23)6-7-17(18)24/h2-7,10,28H,8-9,11H2,1H3,(H,26,29)
InChIKeyNXGBAZFPPKBTRZ-UHFFFAOYSA-N
MW433.84 g/mol
LogP3.32
Rot. Bonds6

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

2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2,5-difluorophenyl)acetamide (PubChem CID 51368647) has the molecular formula C21H18ClF2N3O3 and a molecular weight of 433.84 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2,5-difluorophenyl)acetamide
PubChem CID51368647
Molecular FormulaC21H18ClF2N3O3
Molecular Weight433.84 g/mol
Exact Mass433.10
IUPAC Name2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2,5-difluorophenyl)acetamide
SMILESCc1nc(-c2ccc(Cl)cc2)n(CC(=O)Nc2cc(F)ccc2F)c(=O)c1CCO
InChIInChI=1S/C21H18ClF2N3O3/c1-12-16(8-9-28)21(30)27(20(25-12)13-2-4-14(22)5-3-13)11-19(29)26-18-10-15(23)6-7-17(18)24/h2-7,10,28H,8-9,11H2,1H3,(H,26,29)
InChIKeyNXGBAZFPPKBTRZ-UHFFFAOYSA-N
XLogP3.32
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.84
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2,5-difluorophenyl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2,5-difluorophenyl)acetamide (CID 51368647) is 2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2,5-difluorophenyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2,5-difluorophenyl)acetamide is Cc1nc(-c2ccc(Cl)cc2)n(CC(=O)Nc2cc(F)ccc2F)c(=O)c1CCO.
What is the InChIKey of 2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2,5-difluorophenyl)acetamide?
The InChIKey is NXGBAZFPPKBTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF2N3O3/c1-12-16(8-9-28)21(30)27(20(25-12)13-2-4-14(22)5-3-13)11-19(29)26-18-10-15(23)6-7-17(18)24/h2-7,10,28H,8-9,11H2,1H3,(H,26,29).
What are the key properties of 2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2,5-difluorophenyl)acetamide?
2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2,5-difluorophenyl)acetamide has a molecular weight of 433.84 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2,5-difluorophenyl)acetamide is sourced from PubChem (CID 51368647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).