5-(4-chlorophenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one

C19H13ClF3NO — CID 5061162

IUPAC5-(4-chlorophenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one
SMILESO=c1ccc(-c2ccc(Cl)cc2)cn1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H13ClF3NO/c20-17-7-4-14(5-8-17)15-6-9-18(25)24(12-15)11-13-2-1-3-16(10-13)19(21,22)23/h1-10,12H,11H2
InChIKeyCQXSHYFQZBZQOB-UHFFFAOYSA-N
MW363.77 g/mol
LogP5.24
Rot. Bonds3

About 5-(4-chlorophenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one

5-(4-chlorophenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one (PubChem CID 5061162) has the molecular formula C19H13ClF3NO and a molecular weight of 363.77 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one
PubChem CID5061162
Molecular FormulaC19H13ClF3NO
Molecular Weight363.77 g/mol
Exact Mass363.06
IUPAC Name5-(4-chlorophenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one
SMILESO=c1ccc(-c2ccc(Cl)cc2)cn1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H13ClF3NO/c20-17-7-4-14(5-8-17)15-6-9-18(25)24(12-15)11-13-2-1-3-16(10-13)19(21,22)23/h1-10,12H,11H2
InChIKeyCQXSHYFQZBZQOB-UHFFFAOYSA-N
XLogP5.24
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.77
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(4-chlorophenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one 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 5-(4-chlorophenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The IUPAC name of 5-(4-chlorophenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one (CID 5061162) is 5-(4-chlorophenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one.
What is the SMILES notation for 5-(4-chlorophenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The canonical SMILES for 5-(4-chlorophenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one is O=c1ccc(-c2ccc(Cl)cc2)cn1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-(4-chlorophenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
The InChIKey is CQXSHYFQZBZQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3NO/c20-17-7-4-14(5-8-17)15-6-9-18(25)24(12-15)11-13-2-1-3-16(10-13)19(21,22)23/h1-10,12H,11H2.
What are the key properties of 5-(4-chlorophenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one?
5-(4-chlorophenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one has a molecular weight of 363.77 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-one is sourced from PubChem (CID 5061162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).