5-acetyl-1-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione

C19H14ClFN2O3 — CID 3845289

IUPAC5-acetyl-1-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
SMILESCC(=O)c1cn(-c2ccc(Cl)cc2)c(=O)n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C19H14ClFN2O3/c1-12(24)17-11-22(16-8-4-14(20)5-9-16)19(26)23(18(17)25)10-13-2-6-15(21)7-3-13/h2-9,11H,10H2,1H3
InChIKeyUSYKKSQIXYAFEG-UHFFFAOYSA-N
MW372.78 g/mol
LogP3.04
Rot. Bonds4

About 5-acetyl-1-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione

5-acetyl-1-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione (PubChem CID 3845289) has the molecular formula C19H14ClFN2O3 and a molecular weight of 372.78 g/mol. Its IUPAC name is 5-acetyl-1-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-1-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
PubChem CID3845289
Molecular FormulaC19H14ClFN2O3
Molecular Weight372.78 g/mol
Exact Mass372.07
IUPAC Name5-acetyl-1-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
SMILESCC(=O)c1cn(-c2ccc(Cl)cc2)c(=O)n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C19H14ClFN2O3/c1-12(24)17-11-22(16-8-4-14(20)5-9-16)19(26)23(18(17)25)10-13-2-6-15(21)7-3-13/h2-9,11H,10H2,1H3
InChIKeyUSYKKSQIXYAFEG-UHFFFAOYSA-N
XLogP3.04
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.78
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-acetyl-1-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-1-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione (CID 3845289) is 5-acetyl-1-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-1-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-1-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione is CC(=O)c1cn(-c2ccc(Cl)cc2)c(=O)n(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 5-acetyl-1-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is USYKKSQIXYAFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN2O3/c1-12(24)17-11-22(16-8-4-14(20)5-9-16)19(26)23(18(17)25)10-13-2-6-15(21)7-3-13/h2-9,11H,10H2,1H3.
What are the key properties of 5-acetyl-1-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione?
5-acetyl-1-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 372.78 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 3845289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).