1-(2,6-difluorophenyl)-2-[4-(2-methyl-5-pyridin-4-ylphenyl)phenyl]ethanone

C26H19F2NO — CID 149476999

IUPAC1-(2,6-difluorophenyl)-2-[4-(2-methyl-5-pyridin-4-ylphenyl)phenyl]ethanone
SMILESCc1ccc(-c2ccncc2)cc1-c1ccc(CC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C26H19F2NO/c1-17-5-8-21(19-11-13-29-14-12-19)16-22(17)20-9-6-18(7-10-20)15-25(30)26-23(27)3-2-4-24(26)28/h2-14,16H,15H2,1H3
InChIKeyZCMMNXMKMXJYSN-UHFFFAOYSA-N
MW399.44 g/mol
LogP6.43
Rot. Bonds5

About 1-(2,6-difluorophenyl)-2-[4-(2-methyl-5-pyridin-4-ylphenyl)phenyl]ethanone

1-(2,6-difluorophenyl)-2-[4-(2-methyl-5-pyridin-4-ylphenyl)phenyl]ethanone (PubChem CID 149476999) has the molecular formula C26H19F2NO and a molecular weight of 399.44 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[4-(2-methyl-5-pyridin-4-ylphenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[4-(2-methyl-5-pyridin-4-ylphenyl)phenyl]ethanone
PubChem CID149476999
Molecular FormulaC26H19F2NO
Molecular Weight399.44 g/mol
Exact Mass399.14
IUPAC Name1-(2,6-difluorophenyl)-2-[4-(2-methyl-5-pyridin-4-ylphenyl)phenyl]ethanone
SMILESCc1ccc(-c2ccncc2)cc1-c1ccc(CC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C26H19F2NO/c1-17-5-8-21(19-11-13-29-14-12-19)16-22(17)20-9-6-18(7-10-20)15-25(30)26-23(27)3-2-4-24(26)28/h2-14,16H,15H2,1H3
InChIKeyZCMMNXMKMXJYSN-UHFFFAOYSA-N
XLogP6.43
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.44
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[4-(2-methyl-5-pyridin-4-ylphenyl)phenyl]ethanone?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[4-(2-methyl-5-pyridin-4-ylphenyl)phenyl]ethanone (CID 149476999) is 1-(2,6-difluorophenyl)-2-[4-(2-methyl-5-pyridin-4-ylphenyl)phenyl]ethanone.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[4-(2-methyl-5-pyridin-4-ylphenyl)phenyl]ethanone?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[4-(2-methyl-5-pyridin-4-ylphenyl)phenyl]ethanone is Cc1ccc(-c2ccncc2)cc1-c1ccc(CC(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[4-(2-methyl-5-pyridin-4-ylphenyl)phenyl]ethanone?
The InChIKey is ZCMMNXMKMXJYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2NO/c1-17-5-8-21(19-11-13-29-14-12-19)16-22(17)20-9-6-18(7-10-20)15-25(30)26-23(27)3-2-4-24(26)28/h2-14,16H,15H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-[4-(2-methyl-5-pyridin-4-ylphenyl)phenyl]ethanone?
1-(2,6-difluorophenyl)-2-[4-(2-methyl-5-pyridin-4-ylphenyl)phenyl]ethanone has a molecular weight of 399.44 g/mol, XLogP of 6.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-[4-(2-methyl-5-pyridin-4-ylphenyl)phenyl]ethanone is sourced from PubChem (CID 149476999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).