N-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-2-phenylacetamide

C21H18ClN3O2 — CID 2193244

IUPACN-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-2-phenylacetamide
SMILESCC(=O)c1c(C)nc(-c2ccc(Cl)cc2)nc1NC(=O)Cc1ccccc1
InChIInChI=1S/C21H18ClN3O2/c1-13-19(14(2)26)21(24-18(27)12-15-6-4-3-5-7-15)25-20(23-13)16-8-10-17(22)11-9-16/h3-11H,12H2,1-2H3,(H,23,24,25,27)
InChIKeyUDNTWWZTBSVUNJ-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.49
Rot. Bonds5

About N-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-2-phenylacetamide

N-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-2-phenylacetamide (PubChem CID 2193244) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is N-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-2-phenylacetamide
PubChem CID2193244
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC NameN-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-2-phenylacetamide
SMILESCC(=O)c1c(C)nc(-c2ccc(Cl)cc2)nc1NC(=O)Cc1ccccc1
InChIInChI=1S/C21H18ClN3O2/c1-13-19(14(2)26)21(24-18(27)12-15-6-4-3-5-7-15)25-20(23-13)16-8-10-17(22)11-9-16/h3-11H,12H2,1-2H3,(H,23,24,25,27)
InChIKeyUDNTWWZTBSVUNJ-UHFFFAOYSA-N
XLogP4.49
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-2-phenylacetamide?
The IUPAC name of N-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-2-phenylacetamide (CID 2193244) is N-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-2-phenylacetamide.
What is the SMILES notation for N-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-2-phenylacetamide?
The canonical SMILES for N-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-2-phenylacetamide is CC(=O)c1c(C)nc(-c2ccc(Cl)cc2)nc1NC(=O)Cc1ccccc1.
What is the InChIKey of N-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-2-phenylacetamide?
The InChIKey is UDNTWWZTBSVUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-13-19(14(2)26)21(24-18(27)12-15-6-4-3-5-7-15)25-20(23-13)16-8-10-17(22)11-9-16/h3-11H,12H2,1-2H3,(H,23,24,25,27).
What are the key properties of N-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-2-phenylacetamide?
N-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-2-phenylacetamide has a molecular weight of 379.85 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-2-phenylacetamide is sourced from PubChem (CID 2193244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).