1-[4-[[2,6-bis(4-fluorophenyl)-4-pyridinyl]amino]phenyl]ethanone

C25H18F2N2O — CID 11553100

IUPAC1-[4-[[2,6-bis(4-fluorophenyl)-4-pyridinyl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2cc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C25H18F2N2O/c1-16(30)17-6-12-22(13-7-17)28-23-14-24(18-2-8-20(26)9-3-18)29-25(15-23)19-4-10-21(27)11-5-19/h2-15H,1H3,(H,28,29)
InChIKeyKEXBTBKGVOXVTC-UHFFFAOYSA-N
MW400.43 g/mol
LogP6.64
Rot. Bonds5

About 1-[4-[[2,6-bis(4-fluorophenyl)-4-pyridinyl]amino]phenyl]ethanone

1-[4-[[2,6-bis(4-fluorophenyl)-4-pyridinyl]amino]phenyl]ethanone (PubChem CID 11553100) has the molecular formula C25H18F2N2O and a molecular weight of 400.43 g/mol. Its IUPAC name is 1-[4-[[2,6-bis(4-fluorophenyl)-4-pyridinyl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[2,6-bis(4-fluorophenyl)-4-pyridinyl]amino]phenyl]ethanone
PubChem CID11553100
Molecular FormulaC25H18F2N2O
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name1-[4-[[2,6-bis(4-fluorophenyl)-4-pyridinyl]amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2cc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C25H18F2N2O/c1-16(30)17-6-12-22(13-7-17)28-23-14-24(18-2-8-20(26)9-3-18)29-25(15-23)19-4-10-21(27)11-5-19/h2-15H,1H3,(H,28,29)
InChIKeyKEXBTBKGVOXVTC-UHFFFAOYSA-N
XLogP6.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.43
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2,6-bis(4-fluorophenyl)-4-pyridinyl]amino]phenyl]ethanone?
The IUPAC name of 1-[4-[[2,6-bis(4-fluorophenyl)-4-pyridinyl]amino]phenyl]ethanone (CID 11553100) is 1-[4-[[2,6-bis(4-fluorophenyl)-4-pyridinyl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[2,6-bis(4-fluorophenyl)-4-pyridinyl]amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[[2,6-bis(4-fluorophenyl)-4-pyridinyl]amino]phenyl]ethanone is CC(=O)c1ccc(Nc2cc(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)c2)cc1.
What is the InChIKey of 1-[4-[[2,6-bis(4-fluorophenyl)-4-pyridinyl]amino]phenyl]ethanone?
The InChIKey is KEXBTBKGVOXVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F2N2O/c1-16(30)17-6-12-22(13-7-17)28-23-14-24(18-2-8-20(26)9-3-18)29-25(15-23)19-4-10-21(27)11-5-19/h2-15H,1H3,(H,28,29).
What are the key properties of 1-[4-[[2,6-bis(4-fluorophenyl)-4-pyridinyl]amino]phenyl]ethanone?
1-[4-[[2,6-bis(4-fluorophenyl)-4-pyridinyl]amino]phenyl]ethanone has a molecular weight of 400.43 g/mol, XLogP of 6.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2,6-bis(4-fluorophenyl)-4-pyridinyl]amino]phenyl]ethanone is sourced from PubChem (CID 11553100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).