2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide

C19H16ClN3O2 — CID 91887521

IUPAC2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide
SMILESCc1cc(=O)n(CC(=O)Nc2ccccc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H16ClN3O2/c1-13-11-18(25)23(12-17(24)22-16-5-3-2-4-6-16)19(21-13)14-7-9-15(20)10-8-14/h2-11H,12H2,1H3,(H,22,24)
InChIKeyUDMVSDIMHRTMBH-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.51
Rot. Bonds4

About 2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide

2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide (PubChem CID 91887521) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide
PubChem CID91887521
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide
SMILESCc1cc(=O)n(CC(=O)Nc2ccccc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H16ClN3O2/c1-13-11-18(25)23(12-17(24)22-16-5-3-2-4-6-16)19(21-13)14-7-9-15(20)10-8-14/h2-11H,12H2,1H3,(H,22,24)
InChIKeyUDMVSDIMHRTMBH-UHFFFAOYSA-N
XLogP3.51
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide (CID 91887521) is 2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide is Cc1cc(=O)n(CC(=O)Nc2ccccc2)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide?
The InChIKey is UDMVSDIMHRTMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-13-11-18(25)23(12-17(24)22-16-5-3-2-4-6-16)19(21-13)14-7-9-15(20)10-8-14/h2-11H,12H2,1H3,(H,22,24).
What are the key properties of 2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide?
2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide has a molecular weight of 353.81 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 91887521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).