5-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one

C20H20F3NO4 — CID 69085010

IUPAC5-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
SMILESCOc1cccc(OC)c1C1CCC(=O)N1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H20F3NO4/c1-26-16-4-3-5-17(27-2)19(16)15-10-11-18(25)24(15)12-13-6-8-14(9-7-13)28-20(21,22)23/h3-9,15H,10-12H2,1-2H3
InChIKeyJXOZVFVJLIGZMP-UHFFFAOYSA-N
MW395.38 g/mol
LogP4.47
Rot. Bonds6

About 5-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one

5-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one (PubChem CID 69085010) has the molecular formula C20H20F3NO4 and a molecular weight of 395.38 g/mol. Its IUPAC name is 5-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
PubChem CID69085010
Molecular FormulaC20H20F3NO4
Molecular Weight395.38 g/mol
Exact Mass395.13
IUPAC Name5-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
SMILESCOc1cccc(OC)c1C1CCC(=O)N1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H20F3NO4/c1-26-16-4-3-5-17(27-2)19(16)15-10-11-18(25)24(15)12-13-6-8-14(9-7-13)28-20(21,22)23/h3-9,15H,10-12H2,1-2H3
InChIKeyJXOZVFVJLIGZMP-UHFFFAOYSA-N
XLogP4.47
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 5-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one (CID 69085010) is 5-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one is COc1cccc(OC)c1C1CCC(=O)N1Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 5-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one?
The InChIKey is JXOZVFVJLIGZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO4/c1-26-16-4-3-5-17(27-2)19(16)15-10-11-18(25)24(15)12-13-6-8-14(9-7-13)28-20(21,22)23/h3-9,15H,10-12H2,1-2H3.
What are the key properties of 5-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one?
5-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one has a molecular weight of 395.38 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 69085010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).