1-(4-fluorophenyl)-2-[6-[2-(4-fluorophenyl)-2-oxoethyl]-2-pyridinyl]ethanone

C21H15F2NO2 — CID 58479133

IUPAC1-(4-fluorophenyl)-2-[6-[2-(4-fluorophenyl)-2-oxoethyl]-2-pyridinyl]ethanone
SMILESO=C(Cc1cccc(CC(=O)c2ccc(F)cc2)n1)c1ccc(F)cc1
InChIInChI=1S/C21H15F2NO2/c22-16-8-4-14(5-9-16)20(25)12-18-2-1-3-19(24-18)13-21(26)15-6-10-17(23)11-7-15/h1-11H,12-13H2
InChIKeyMHCNZIJMDLKELD-UHFFFAOYSA-N
MW351.35 g/mol
LogP4.21
Rot. Bonds6

About 1-(4-fluorophenyl)-2-[6-[2-(4-fluorophenyl)-2-oxoethyl]-2-pyridinyl]ethanone

1-(4-fluorophenyl)-2-[6-[2-(4-fluorophenyl)-2-oxoethyl]-2-pyridinyl]ethanone (PubChem CID 58479133) has the molecular formula C21H15F2NO2 and a molecular weight of 351.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[6-[2-(4-fluorophenyl)-2-oxoethyl]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[6-[2-(4-fluorophenyl)-2-oxoethyl]-2-pyridinyl]ethanone
PubChem CID58479133
Molecular FormulaC21H15F2NO2
Molecular Weight351.35 g/mol
Exact Mass351.11
IUPAC Name1-(4-fluorophenyl)-2-[6-[2-(4-fluorophenyl)-2-oxoethyl]-2-pyridinyl]ethanone
SMILESO=C(Cc1cccc(CC(=O)c2ccc(F)cc2)n1)c1ccc(F)cc1
InChIInChI=1S/C21H15F2NO2/c22-16-8-4-14(5-9-16)20(25)12-18-2-1-3-19(24-18)13-21(26)15-6-10-17(23)11-7-15/h1-11H,12-13H2
InChIKeyMHCNZIJMDLKELD-UHFFFAOYSA-N
XLogP4.21
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)-2-[6-[2-(4-fluorophenyl)-2-oxoethyl]-2-pyridinyl]ethanone 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 1-(4-fluorophenyl)-2-[6-[2-(4-fluorophenyl)-2-oxoethyl]-2-pyridinyl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[6-[2-(4-fluorophenyl)-2-oxoethyl]-2-pyridinyl]ethanone (CID 58479133) is 1-(4-fluorophenyl)-2-[6-[2-(4-fluorophenyl)-2-oxoethyl]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[6-[2-(4-fluorophenyl)-2-oxoethyl]-2-pyridinyl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[6-[2-(4-fluorophenyl)-2-oxoethyl]-2-pyridinyl]ethanone is O=C(Cc1cccc(CC(=O)c2ccc(F)cc2)n1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[6-[2-(4-fluorophenyl)-2-oxoethyl]-2-pyridinyl]ethanone?
The InChIKey is MHCNZIJMDLKELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2NO2/c22-16-8-4-14(5-9-16)20(25)12-18-2-1-3-19(24-18)13-21(26)15-6-10-17(23)11-7-15/h1-11H,12-13H2.
What are the key properties of 1-(4-fluorophenyl)-2-[6-[2-(4-fluorophenyl)-2-oxoethyl]-2-pyridinyl]ethanone?
1-(4-fluorophenyl)-2-[6-[2-(4-fluorophenyl)-2-oxoethyl]-2-pyridinyl]ethanone has a molecular weight of 351.35 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[6-[2-(4-fluorophenyl)-2-oxoethyl]-2-pyridinyl]ethanone is sourced from PubChem (CID 58479133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).