2-[2-chloro-3-(trifluoromethyl)phenyl]-1-(2-phenylethyl)pyrimidin-4-one

C19H14ClF3N2O — CID 134565353

IUPAC2-[2-chloro-3-(trifluoromethyl)phenyl]-1-(2-phenylethyl)pyrimidin-4-one
SMILESO=c1ccn(CCc2ccccc2)c(-c2cccc(C(F)(F)F)c2Cl)n1
InChIInChI=1S/C19H14ClF3N2O/c20-17-14(7-4-8-15(17)19(21,22)23)18-24-16(26)10-12-25(18)11-9-13-5-2-1-3-6-13/h1-8,10,12H,9,11H2
InChIKeyQMKJMDYSRZSJLL-UHFFFAOYSA-N
MW378.78 g/mol
LogP4.83
Rot. Bonds4

About 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-(2-phenylethyl)pyrimidin-4-one

2-[2-chloro-3-(trifluoromethyl)phenyl]-1-(2-phenylethyl)pyrimidin-4-one (PubChem CID 134565353) has the molecular formula C19H14ClF3N2O and a molecular weight of 378.78 g/mol. Its IUPAC name is 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-(2-phenylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-[2-chloro-3-(trifluoromethyl)phenyl]-1-(2-phenylethyl)pyrimidin-4-one
PubChem CID134565353
Molecular FormulaC19H14ClF3N2O
Molecular Weight378.78 g/mol
Exact Mass378.07
IUPAC Name2-[2-chloro-3-(trifluoromethyl)phenyl]-1-(2-phenylethyl)pyrimidin-4-one
SMILESO=c1ccn(CCc2ccccc2)c(-c2cccc(C(F)(F)F)c2Cl)n1
InChIInChI=1S/C19H14ClF3N2O/c20-17-14(7-4-8-15(17)19(21,22)23)18-24-16(26)10-12-25(18)11-9-13-5-2-1-3-6-13/h1-8,10,12H,9,11H2
InChIKeyQMKJMDYSRZSJLL-UHFFFAOYSA-N
XLogP4.83
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.78
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-(2-phenylethyl)pyrimidin-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 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-(2-phenylethyl)pyrimidin-4-one?
The IUPAC name of 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-(2-phenylethyl)pyrimidin-4-one (CID 134565353) is 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-(2-phenylethyl)pyrimidin-4-one.
What is the SMILES notation for 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-(2-phenylethyl)pyrimidin-4-one?
The canonical SMILES for 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-(2-phenylethyl)pyrimidin-4-one is O=c1ccn(CCc2ccccc2)c(-c2cccc(C(F)(F)F)c2Cl)n1.
What is the InChIKey of 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-(2-phenylethyl)pyrimidin-4-one?
The InChIKey is QMKJMDYSRZSJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N2O/c20-17-14(7-4-8-15(17)19(21,22)23)18-24-16(26)10-12-25(18)11-9-13-5-2-1-3-6-13/h1-8,10,12H,9,11H2.
What are the key properties of 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-(2-phenylethyl)pyrimidin-4-one?
2-[2-chloro-3-(trifluoromethyl)phenyl]-1-(2-phenylethyl)pyrimidin-4-one has a molecular weight of 378.78 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-3-(trifluoromethyl)phenyl]-1-(2-phenylethyl)pyrimidin-4-one is sourced from PubChem (CID 134565353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).