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

C22H19ClF3N3O3 — CID 51369011

IUPAC2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2ccc(C(F)(F)F)cc2)c(=O)c1CCO
InChIInChI=1S/C22H19ClF3N3O3/c1-13-18(9-10-30)21(32)29(20(27-13)14-3-2-4-16(23)11-14)12-19(31)28-17-7-5-15(6-8-17)22(24,25)26/h2-8,11,30H,9-10,12H2,1H3,(H,28,31)
InChIKeyOKEZLYCSSWOWGB-UHFFFAOYSA-N
MW465.86 g/mol
LogP4.06
Rot. Bonds6

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

2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 51369011) has the molecular formula C22H19ClF3N3O3 and a molecular weight of 465.86 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID51369011
Molecular FormulaC22H19ClF3N3O3
Molecular Weight465.86 g/mol
Exact Mass465.11
IUPAC Name2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2ccc(C(F)(F)F)cc2)c(=O)c1CCO
InChIInChI=1S/C22H19ClF3N3O3/c1-13-18(9-10-30)21(32)29(20(27-13)14-3-2-4-16(23)11-14)12-19(31)28-17-7-5-15(6-8-17)22(24,25)26/h2-8,11,30H,9-10,12H2,1H3,(H,28,31)
InChIKeyOKEZLYCSSWOWGB-UHFFFAOYSA-N
XLogP4.06
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.86
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 51369011) is 2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide is Cc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2ccc(C(F)(F)F)cc2)c(=O)c1CCO.
What is the InChIKey of 2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is OKEZLYCSSWOWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF3N3O3/c1-13-18(9-10-30)21(32)29(20(27-13)14-3-2-4-16(23)11-14)12-19(31)28-17-7-5-15(6-8-17)22(24,25)26/h2-8,11,30H,9-10,12H2,1H3,(H,28,31).
What are the key properties of 2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 465.86 g/mol, XLogP of 4.06, 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-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 51369011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).