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

C20H15ClF3NO — CID 134565232

IUPAC2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(2-methylphenyl)methyl]pyridin-4-one
SMILESCc1ccccc1Cn1ccc(=O)cc1-c1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C20H15ClF3NO/c1-13-5-2-3-6-14(13)12-25-10-9-15(26)11-18(25)16-7-4-8-17(19(16)21)20(22,23)24/h2-11H,12H2,1H3
InChIKeyCJYBCWBDLGOOBQ-UHFFFAOYSA-N
MW377.79 g/mol
LogP5.54
Rot. Bonds3

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

2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(2-methylphenyl)methyl]pyridin-4-one (PubChem CID 134565232) has the molecular formula C20H15ClF3NO and a molecular weight of 377.79 g/mol. Its IUPAC name is 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(2-methylphenyl)methyl]pyridin-4-one.

Molecular Properties

Compound Name2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(2-methylphenyl)methyl]pyridin-4-one
PubChem CID134565232
Molecular FormulaC20H15ClF3NO
Molecular Weight377.79 g/mol
Exact Mass377.08
IUPAC Name2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(2-methylphenyl)methyl]pyridin-4-one
SMILESCc1ccccc1Cn1ccc(=O)cc1-c1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C20H15ClF3NO/c1-13-5-2-3-6-14(13)12-25-10-9-15(26)11-18(25)16-7-4-8-17(19(16)21)20(22,23)24/h2-11H,12H2,1H3
InChIKeyCJYBCWBDLGOOBQ-UHFFFAOYSA-N
XLogP5.54
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.79
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(2-methylphenyl)methyl]pyridin-4-one?
The IUPAC name of 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(2-methylphenyl)methyl]pyridin-4-one (CID 134565232) is 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(2-methylphenyl)methyl]pyridin-4-one.
What is the SMILES notation for 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(2-methylphenyl)methyl]pyridin-4-one?
The canonical SMILES for 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(2-methylphenyl)methyl]pyridin-4-one is Cc1ccccc1Cn1ccc(=O)cc1-c1cccc(C(F)(F)F)c1Cl.
What is the InChIKey of 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(2-methylphenyl)methyl]pyridin-4-one?
The InChIKey is CJYBCWBDLGOOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3NO/c1-13-5-2-3-6-14(13)12-25-10-9-15(26)11-18(25)16-7-4-8-17(19(16)21)20(22,23)24/h2-11H,12H2,1H3.
What are the key properties of 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(2-methylphenyl)methyl]pyridin-4-one?
2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(2-methylphenyl)methyl]pyridin-4-one has a molecular weight of 377.79 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-[(2-methylphenyl)methyl]pyridin-4-one is sourced from PubChem (CID 134565232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).