1-[(3-benzoylphenyl)methyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one

C26H17ClF3NO2 — CID 134565290

IUPAC1-[(3-benzoylphenyl)methyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one
SMILESO=C(c1ccccc1)c1cccc(Cn2ccc(=O)cc2-c2cccc(C(F)(F)F)c2Cl)c1
InChIInChI=1S/C26H17ClF3NO2/c27-24-21(10-5-11-22(24)26(28,29)30)23-15-20(32)12-13-31(23)16-17-6-4-9-19(14-17)25(33)18-7-2-1-3-8-18/h1-15H,16H2
InChIKeyLSAVZIBTLMXQIM-UHFFFAOYSA-N
MW467.87 g/mol
LogP6.47
Rot. Bonds5

About 1-[(3-benzoylphenyl)methyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one

1-[(3-benzoylphenyl)methyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one (PubChem CID 134565290) has the molecular formula C26H17ClF3NO2 and a molecular weight of 467.87 g/mol. Its IUPAC name is 1-[(3-benzoylphenyl)methyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one.

Molecular Properties

Compound Name1-[(3-benzoylphenyl)methyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one
PubChem CID134565290
Molecular FormulaC26H17ClF3NO2
Molecular Weight467.87 g/mol
Exact Mass467.09
IUPAC Name1-[(3-benzoylphenyl)methyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one
SMILESO=C(c1ccccc1)c1cccc(Cn2ccc(=O)cc2-c2cccc(C(F)(F)F)c2Cl)c1
InChIInChI=1S/C26H17ClF3NO2/c27-24-21(10-5-11-22(24)26(28,29)30)23-15-20(32)12-13-31(23)16-17-6-4-9-19(14-17)25(33)18-7-2-1-3-8-18/h1-15H,16H2
InChIKeyLSAVZIBTLMXQIM-UHFFFAOYSA-N
XLogP6.47
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.87
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-benzoylphenyl)methyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one?
The IUPAC name of 1-[(3-benzoylphenyl)methyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one (CID 134565290) is 1-[(3-benzoylphenyl)methyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one.
What is the SMILES notation for 1-[(3-benzoylphenyl)methyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one?
The canonical SMILES for 1-[(3-benzoylphenyl)methyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one is O=C(c1ccccc1)c1cccc(Cn2ccc(=O)cc2-c2cccc(C(F)(F)F)c2Cl)c1.
What is the InChIKey of 1-[(3-benzoylphenyl)methyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one?
The InChIKey is LSAVZIBTLMXQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17ClF3NO2/c27-24-21(10-5-11-22(24)26(28,29)30)23-15-20(32)12-13-31(23)16-17-6-4-9-19(14-17)25(33)18-7-2-1-3-8-18/h1-15H,16H2.
What are the key properties of 1-[(3-benzoylphenyl)methyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one?
1-[(3-benzoylphenyl)methyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one has a molecular weight of 467.87 g/mol, XLogP of 6.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-benzoylphenyl)methyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one is sourced from PubChem (CID 134565290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).