N-(5-chloro-2-methylphenyl)-2-(4-methyl-6-oxo-2-propan-2-ylpyrimidin-1-yl)acetamide

C17H20ClN3O2 — CID 2425814

IUPACN-(5-chloro-2-methylphenyl)-2-(4-methyl-6-oxo-2-propan-2-ylpyrimidin-1-yl)acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2cc(Cl)ccc2C)c(C(C)C)n1
InChIInChI=1S/C17H20ClN3O2/c1-10(2)17-19-12(4)7-16(23)21(17)9-15(22)20-14-8-13(18)6-5-11(14)3/h5-8,10H,9H2,1-4H3,(H,20,22)
InChIKeyLIGWYKSYXBJLOE-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.28
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-2-(4-methyl-6-oxo-2-propan-2-ylpyrimidin-1-yl)acetamide

N-(5-chloro-2-methylphenyl)-2-(4-methyl-6-oxo-2-propan-2-ylpyrimidin-1-yl)acetamide (PubChem CID 2425814) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(4-methyl-6-oxo-2-propan-2-ylpyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(4-methyl-6-oxo-2-propan-2-ylpyrimidin-1-yl)acetamide
PubChem CID2425814
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(4-methyl-6-oxo-2-propan-2-ylpyrimidin-1-yl)acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2cc(Cl)ccc2C)c(C(C)C)n1
InChIInChI=1S/C17H20ClN3O2/c1-10(2)17-19-12(4)7-16(23)21(17)9-15(22)20-14-8-13(18)6-5-11(14)3/h5-8,10H,9H2,1-4H3,(H,20,22)
InChIKeyLIGWYKSYXBJLOE-UHFFFAOYSA-N
XLogP3.28
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(4-methyl-6-oxo-2-propan-2-ylpyrimidin-1-yl)acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(4-methyl-6-oxo-2-propan-2-ylpyrimidin-1-yl)acetamide (CID 2425814) is N-(5-chloro-2-methylphenyl)-2-(4-methyl-6-oxo-2-propan-2-ylpyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(4-methyl-6-oxo-2-propan-2-ylpyrimidin-1-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(4-methyl-6-oxo-2-propan-2-ylpyrimidin-1-yl)acetamide is Cc1cc(=O)n(CC(=O)Nc2cc(Cl)ccc2C)c(C(C)C)n1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(4-methyl-6-oxo-2-propan-2-ylpyrimidin-1-yl)acetamide?
The InChIKey is LIGWYKSYXBJLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-10(2)17-19-12(4)7-16(23)21(17)9-15(22)20-14-8-13(18)6-5-11(14)3/h5-8,10H,9H2,1-4H3,(H,20,22).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(4-methyl-6-oxo-2-propan-2-ylpyrimidin-1-yl)acetamide?
N-(5-chloro-2-methylphenyl)-2-(4-methyl-6-oxo-2-propan-2-ylpyrimidin-1-yl)acetamide has a molecular weight of 333.82 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-(4-methyl-6-oxo-2-propan-2-ylpyrimidin-1-yl)acetamide is sourced from PubChem (CID 2425814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).