3-(4-chloro-2-methyl-1-benzofuran-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

C15H10ClF3N2O3 — CID 23289190

IUPAC3-(4-chloro-2-methyl-1-benzofuran-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCc1cc2c(Cl)ccc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)c2o1
InChIInChI=1S/C15H10ClF3N2O3/c1-7-5-8-9(16)3-4-10(13(8)24-7)21-12(22)6-11(15(17,18)19)20(2)14(21)23/h3-6H,1-2H3
InChIKeyKXFPTTGBUYPRLE-UHFFFAOYSA-N
MW358.70 g/mol
LogP3.26
Rot. Bonds1

About 3-(4-chloro-2-methyl-1-benzofuran-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

3-(4-chloro-2-methyl-1-benzofuran-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 23289190) has the molecular formula C15H10ClF3N2O3 and a molecular weight of 358.70 g/mol. Its IUPAC name is 3-(4-chloro-2-methyl-1-benzofuran-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(4-chloro-2-methyl-1-benzofuran-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID23289190
Molecular FormulaC15H10ClF3N2O3
Molecular Weight358.70 g/mol
Exact Mass358.03
IUPAC Name3-(4-chloro-2-methyl-1-benzofuran-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCc1cc2c(Cl)ccc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)c2o1
InChIInChI=1S/C15H10ClF3N2O3/c1-7-5-8-9(16)3-4-10(13(8)24-7)21-12(22)6-11(15(17,18)19)20(2)14(21)23/h3-6H,1-2H3
InChIKeyKXFPTTGBUYPRLE-UHFFFAOYSA-N
XLogP3.26
TPSA57.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.70
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-chloro-2-methyl-1-benzofuran-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione 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 3-(4-chloro-2-methyl-1-benzofuran-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-(4-chloro-2-methyl-1-benzofuran-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 23289190) is 3-(4-chloro-2-methyl-1-benzofuran-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-(4-chloro-2-methyl-1-benzofuran-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-(4-chloro-2-methyl-1-benzofuran-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is Cc1cc2c(Cl)ccc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)c2o1.
What is the InChIKey of 3-(4-chloro-2-methyl-1-benzofuran-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is KXFPTTGBUYPRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2O3/c1-7-5-8-9(16)3-4-10(13(8)24-7)21-12(22)6-11(15(17,18)19)20(2)14(21)23/h3-6H,1-2H3.
What are the key properties of 3-(4-chloro-2-methyl-1-benzofuran-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
3-(4-chloro-2-methyl-1-benzofuran-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 358.70 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methyl-1-benzofuran-7-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 23289190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).