1-[2-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)-3-pyridinyl]ethanone

C20H15ClFNO — CID 70301760

IUPAC1-[2-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(F)cc2)nc1Cc1ccccc1Cl
InChIInChI=1S/C20H15ClFNO/c1-13(24)17-10-11-19(14-6-8-16(22)9-7-14)23-20(17)12-15-4-2-3-5-18(15)21/h2-11H,12H2,1H3
InChIKeyOQBOAPDFOMXWNM-UHFFFAOYSA-N
MW339.80 g/mol
LogP5.33
Rot. Bonds4

About 1-[2-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)-3-pyridinyl]ethanone

1-[2-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)-3-pyridinyl]ethanone (PubChem CID 70301760) has the molecular formula C20H15ClFNO and a molecular weight of 339.80 g/mol. Its IUPAC name is 1-[2-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[2-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)-3-pyridinyl]ethanone
PubChem CID70301760
Molecular FormulaC20H15ClFNO
Molecular Weight339.80 g/mol
Exact Mass339.08
IUPAC Name1-[2-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(F)cc2)nc1Cc1ccccc1Cl
InChIInChI=1S/C20H15ClFNO/c1-13(24)17-10-11-19(14-6-8-16(22)9-7-14)23-20(17)12-15-4-2-3-5-18(15)21/h2-11H,12H2,1H3
InChIKeyOQBOAPDFOMXWNM-UHFFFAOYSA-N
XLogP5.33
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.80
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[2-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)-3-pyridinyl]ethanone (CID 70301760) is 1-[2-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[2-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[2-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)-3-pyridinyl]ethanone is CC(=O)c1ccc(-c2ccc(F)cc2)nc1Cc1ccccc1Cl.
What is the InChIKey of 1-[2-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)-3-pyridinyl]ethanone?
The InChIKey is OQBOAPDFOMXWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFNO/c1-13(24)17-10-11-19(14-6-8-16(22)9-7-14)23-20(17)12-15-4-2-3-5-18(15)21/h2-11H,12H2,1H3.
What are the key properties of 1-[2-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)-3-pyridinyl]ethanone?
1-[2-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)-3-pyridinyl]ethanone has a molecular weight of 339.80 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chlorophenyl)methyl]-6-(4-fluorophenyl)-3-pyridinyl]ethanone is sourced from PubChem (CID 70301760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).