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

C19H12Cl2F3NO — CID 134565281

IUPAC1-[(2-chlorophenyl)methyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one
SMILESO=c1ccn(Cc2ccccc2Cl)c(-c2cccc(C(F)(F)F)c2Cl)c1
InChIInChI=1S/C19H12Cl2F3NO/c20-16-7-2-1-4-12(16)11-25-9-8-13(26)10-17(25)14-5-3-6-15(18(14)21)19(22,23)24/h1-10H,11H2
InChIKeyKACOOCCJBRTWSU-UHFFFAOYSA-N
MW398.21 g/mol
LogP5.89
Rot. Bonds3

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

1-[(2-chlorophenyl)methyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one (PubChem CID 134565281) has the molecular formula C19H12Cl2F3NO and a molecular weight of 398.21 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one
PubChem CID134565281
Molecular FormulaC19H12Cl2F3NO
Molecular Weight398.21 g/mol
Exact Mass397.02
IUPAC Name1-[(2-chlorophenyl)methyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one
SMILESO=c1ccn(Cc2ccccc2Cl)c(-c2cccc(C(F)(F)F)c2Cl)c1
InChIInChI=1S/C19H12Cl2F3NO/c20-16-7-2-1-4-12(16)11-25-9-8-13(26)10-17(25)14-5-3-6-15(18(14)21)19(22,23)24/h1-10H,11H2
InChIKeyKACOOCCJBRTWSU-UHFFFAOYSA-N
XLogP5.89
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.21
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(2-chlorophenyl)methyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-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 1-[(2-chlorophenyl)methyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one (CID 134565281) is 1-[(2-chlorophenyl)methyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one is O=c1ccn(Cc2ccccc2Cl)c(-c2cccc(C(F)(F)F)c2Cl)c1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one?
The InChIKey is KACOOCCJBRTWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2F3NO/c20-16-7-2-1-4-12(16)11-25-9-8-13(26)10-17(25)14-5-3-6-15(18(14)21)19(22,23)24/h1-10H,11H2.
What are the key properties of 1-[(2-chlorophenyl)methyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one?
1-[(2-chlorophenyl)methyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one has a molecular weight of 398.21 g/mol, XLogP of 5.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]pyridin-4-one is sourced from PubChem (CID 134565281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).