1-[3-[6-(3-acetylphenyl)-4-[4-(trifluoromethoxy)anilino]-2-pyridinyl]phenyl]ethanone

C28H21F3N2O3 — CID 11605574

IUPAC1-[3-[6-(3-acetylphenyl)-4-[4-(trifluoromethoxy)anilino]-2-pyridinyl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)cc(-c3cccc(C(C)=O)c3)n2)c1
InChIInChI=1S/C28H21F3N2O3/c1-17(34)19-5-3-7-21(13-19)26-15-24(32-23-9-11-25(12-10-23)36-28(29,30)31)16-27(33-26)22-8-4-6-20(14-22)18(2)35/h3-16H,1-2H3,(H,32,33)
InChIKeyCMMOWXPTMIPTHR-UHFFFAOYSA-N
MW490.48 g/mol
LogP7.46
Rot. Bonds7

About 1-[3-[6-(3-acetylphenyl)-4-[4-(trifluoromethoxy)anilino]-2-pyridinyl]phenyl]ethanone

1-[3-[6-(3-acetylphenyl)-4-[4-(trifluoromethoxy)anilino]-2-pyridinyl]phenyl]ethanone (PubChem CID 11605574) has the molecular formula C28H21F3N2O3 and a molecular weight of 490.48 g/mol. Its IUPAC name is 1-[3-[6-(3-acetylphenyl)-4-[4-(trifluoromethoxy)anilino]-2-pyridinyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[6-(3-acetylphenyl)-4-[4-(trifluoromethoxy)anilino]-2-pyridinyl]phenyl]ethanone
PubChem CID11605574
Molecular FormulaC28H21F3N2O3
Molecular Weight490.48 g/mol
Exact Mass490.15
IUPAC Name1-[3-[6-(3-acetylphenyl)-4-[4-(trifluoromethoxy)anilino]-2-pyridinyl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)cc(-c3cccc(C(C)=O)c3)n2)c1
InChIInChI=1S/C28H21F3N2O3/c1-17(34)19-5-3-7-21(13-19)26-15-24(32-23-9-11-25(12-10-23)36-28(29,30)31)16-27(33-26)22-8-4-6-20(14-22)18(2)35/h3-16H,1-2H3,(H,32,33)
InChIKeyCMMOWXPTMIPTHR-UHFFFAOYSA-N
XLogP7.46
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.48
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-[6-(3-acetylphenyl)-4-[4-(trifluoromethoxy)anilino]-2-pyridinyl]phenyl]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-[3-[6-(3-acetylphenyl)-4-[4-(trifluoromethoxy)anilino]-2-pyridinyl]phenyl]ethanone?
The IUPAC name of 1-[3-[6-(3-acetylphenyl)-4-[4-(trifluoromethoxy)anilino]-2-pyridinyl]phenyl]ethanone (CID 11605574) is 1-[3-[6-(3-acetylphenyl)-4-[4-(trifluoromethoxy)anilino]-2-pyridinyl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[6-(3-acetylphenyl)-4-[4-(trifluoromethoxy)anilino]-2-pyridinyl]phenyl]ethanone?
The canonical SMILES for 1-[3-[6-(3-acetylphenyl)-4-[4-(trifluoromethoxy)anilino]-2-pyridinyl]phenyl]ethanone is CC(=O)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)cc(-c3cccc(C(C)=O)c3)n2)c1.
What is the InChIKey of 1-[3-[6-(3-acetylphenyl)-4-[4-(trifluoromethoxy)anilino]-2-pyridinyl]phenyl]ethanone?
The InChIKey is CMMOWXPTMIPTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F3N2O3/c1-17(34)19-5-3-7-21(13-19)26-15-24(32-23-9-11-25(12-10-23)36-28(29,30)31)16-27(33-26)22-8-4-6-20(14-22)18(2)35/h3-16H,1-2H3,(H,32,33).
What are the key properties of 1-[3-[6-(3-acetylphenyl)-4-[4-(trifluoromethoxy)anilino]-2-pyridinyl]phenyl]ethanone?
1-[3-[6-(3-acetylphenyl)-4-[4-(trifluoromethoxy)anilino]-2-pyridinyl]phenyl]ethanone has a molecular weight of 490.48 g/mol, XLogP of 7.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-(3-acetylphenyl)-4-[4-(trifluoromethoxy)anilino]-2-pyridinyl]phenyl]ethanone is sourced from PubChem (CID 11605574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).