2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide

C12H8Cl2FN3O2 — CID 114583212

IUPAC2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide
SMILESO=C(Cn1cnc(Cl)c(Cl)c1=O)Nc1cccc(F)c1
InChIInChI=1S/C12H8Cl2FN3O2/c13-10-11(14)16-6-18(12(10)20)5-9(19)17-8-3-1-2-7(15)4-8/h1-4,6H,5H2,(H,17,19)
InChIKeyOPMYQSZTDOGPHD-UHFFFAOYSA-N
MW316.12 g/mol
LogP2.33
Rot. Bonds3

About 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide

2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide (PubChem CID 114583212) has the molecular formula C12H8Cl2FN3O2 and a molecular weight of 316.12 g/mol. Its IUPAC name is 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide
PubChem CID114583212
Molecular FormulaC12H8Cl2FN3O2
Molecular Weight316.12 g/mol
Exact Mass315.00
IUPAC Name2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide
SMILESO=C(Cn1cnc(Cl)c(Cl)c1=O)Nc1cccc(F)c1
InChIInChI=1S/C12H8Cl2FN3O2/c13-10-11(14)16-6-18(12(10)20)5-9(19)17-8-3-1-2-7(15)4-8/h1-4,6H,5H2,(H,17,19)
InChIKeyOPMYQSZTDOGPHD-UHFFFAOYSA-N
XLogP2.33
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.12
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide 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 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide (CID 114583212) is 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide is O=C(Cn1cnc(Cl)c(Cl)c1=O)Nc1cccc(F)c1.
What is the InChIKey of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide?
The InChIKey is OPMYQSZTDOGPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2FN3O2/c13-10-11(14)16-6-18(12(10)20)5-9(19)17-8-3-1-2-7(15)4-8/h1-4,6H,5H2,(H,17,19).
What are the key properties of 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide?
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide has a molecular weight of 316.12 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 114583212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).