5-(2-ethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one

C20H20F3NO3 — CID 69083688

IUPAC5-(2-ethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
SMILESCCOc1ccccc1C1CCC(=O)N1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H20F3NO3/c1-2-26-18-6-4-3-5-16(18)17-11-12-19(25)24(17)13-14-7-9-15(10-8-14)27-20(21,22)23/h3-10,17H,2,11-13H2,1H3
InChIKeyWRGMMITXYNGNLI-UHFFFAOYSA-N
MW379.38 g/mol
LogP4.85
Rot. Bonds6

About 5-(2-ethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one

5-(2-ethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one (PubChem CID 69083688) has the molecular formula C20H20F3NO3 and a molecular weight of 379.38 g/mol. Its IUPAC name is 5-(2-ethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-(2-ethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
PubChem CID69083688
Molecular FormulaC20H20F3NO3
Molecular Weight379.38 g/mol
Exact Mass379.14
IUPAC Name5-(2-ethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
SMILESCCOc1ccccc1C1CCC(=O)N1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H20F3NO3/c1-2-26-18-6-4-3-5-16(18)17-11-12-19(25)24(17)13-14-7-9-15(10-8-14)27-20(21,22)23/h3-10,17H,2,11-13H2,1H3
InChIKeyWRGMMITXYNGNLI-UHFFFAOYSA-N
XLogP4.85
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-Methoxy-phenyl)-2-pyrrolidin-1-yl-ethyl]-N-methyl-2-(4-trifluoromethyl-phenyl)-acetamide
CID 10207990
4-[4-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]-N,N-diethylbenzamide
CID 44275619
N-benzyl-2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 755425
Mao-B-IN-5
CID 11324918
2-(4-Benzyloxy-phenyl)-N-hydroxy-N-(1-phenyl-ethyl)-acetamide
CID 14406200
5-(2,6-Dimethoxyphenyl)-3-methyl-1-(4-(trifluoromethoxy)benzyl)pyrrolidin-2-one
CID 69080186
(3S,5S)-5-(2,6-dimethoxyphenyl)-3-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
CID 69080188
5-(2,6-Dimethoxyphenyl)-3,3-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
CID 69080268
7-(2,6-Dimethoxyphenyl)-1-(4-(trifluoromethoxy)benzyl)azepan-2-one
CID 69080890
6-(2-Ethoxy-6-methoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one
CID 69080992
(3S,5S)-5-(2,6-dimethoxyphenyl)-3-methoxy-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
CID 69081619
(3S,5S)-3-chloro-5-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
CID 69081640

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 5-(2-ethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one (CID 69083688) is 5-(2-ethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-(2-ethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-(2-ethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one is CCOc1ccccc1C1CCC(=O)N1Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 5-(2-ethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one?
The InChIKey is WRGMMITXYNGNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO3/c1-2-26-18-6-4-3-5-16(18)17-11-12-19(25)24(17)13-14-7-9-15(10-8-14)27-20(21,22)23/h3-10,17H,2,11-13H2,1H3.
What are the key properties of 5-(2-ethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one?
5-(2-ethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one has a molecular weight of 379.38 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 69083688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).