2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide

C23H24FN3O3 — CID 51368737

IUPAC2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2c(-c3ccc(F)cc3)nc(C)c(CCO)c2=O)cc1
InChIInChI=1S/C23H24FN3O3/c1-15-3-5-17(6-4-15)13-25-21(29)14-27-22(18-7-9-19(24)10-8-18)26-16(2)20(11-12-28)23(27)30/h3-10,28H,11-14H2,1-2H3,(H,25,29)
InChIKeyRRCNNLFEDKDXNX-UHFFFAOYSA-N
MW409.46 g/mol
LogP2.52
Rot. Bonds7

About 2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide

2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 51368737) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID51368737
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Name2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2c(-c3ccc(F)cc3)nc(C)c(CCO)c2=O)cc1
InChIInChI=1S/C23H24FN3O3/c1-15-3-5-17(6-4-15)13-25-21(29)14-27-22(18-7-9-19(24)10-8-18)26-16(2)20(11-12-28)23(27)30/h3-10,28H,11-14H2,1-2H3,(H,25,29)
InChIKeyRRCNNLFEDKDXNX-UHFFFAOYSA-N
XLogP2.52
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide (CID 51368737) is 2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)Cn2c(-c3ccc(F)cc3)nc(C)c(CCO)c2=O)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is RRCNNLFEDKDXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-15-3-5-17(6-4-15)13-25-21(29)14-27-22(18-7-9-19(24)10-8-18)26-16(2)20(11-12-28)23(27)30/h3-10,28H,11-14H2,1-2H3,(H,25,29).
What are the key properties of 2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 409.46 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 51368737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).