5-(2,6-dimethoxyphenyl)-1-[[4-methoxy-3-(trifluoromethoxy)phenyl]methyl]-3-methylpyrrolidin-2-one

C22H24F3NO5 — CID 69081747

IUPAC5-(2,6-dimethoxyphenyl)-1-[[4-methoxy-3-(trifluoromethoxy)phenyl]methyl]-3-methylpyrrolidin-2-one
SMILESCOc1ccc(CN2C(=O)C(C)CC2c2c(OC)cccc2OC)cc1OC(F)(F)F
InChIInChI=1S/C22H24F3NO5/c1-13-10-15(20-17(29-3)6-5-7-18(20)30-4)26(21(13)27)12-14-8-9-16(28-2)19(11-14)31-22(23,24)25/h5-9,11,13,15H,10,12H2,1-4H3
InChIKeyUDMJYJFTLGMXQQ-UHFFFAOYSA-N
MW439.43 g/mol
LogP4.72
Rot. Bonds7

About 5-(2,6-dimethoxyphenyl)-1-[[4-methoxy-3-(trifluoromethoxy)phenyl]methyl]-3-methylpyrrolidin-2-one

5-(2,6-dimethoxyphenyl)-1-[[4-methoxy-3-(trifluoromethoxy)phenyl]methyl]-3-methylpyrrolidin-2-one (PubChem CID 69081747) has the molecular formula C22H24F3NO5 and a molecular weight of 439.43 g/mol. Its IUPAC name is 5-(2,6-dimethoxyphenyl)-1-[[4-methoxy-3-(trifluoromethoxy)phenyl]methyl]-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-(2,6-dimethoxyphenyl)-1-[[4-methoxy-3-(trifluoromethoxy)phenyl]methyl]-3-methylpyrrolidin-2-one
PubChem CID69081747
Molecular FormulaC22H24F3NO5
Molecular Weight439.43 g/mol
Exact Mass439.16
IUPAC Name5-(2,6-dimethoxyphenyl)-1-[[4-methoxy-3-(trifluoromethoxy)phenyl]methyl]-3-methylpyrrolidin-2-one
SMILESCOc1ccc(CN2C(=O)C(C)CC2c2c(OC)cccc2OC)cc1OC(F)(F)F
InChIInChI=1S/C22H24F3NO5/c1-13-10-15(20-17(29-3)6-5-7-18(20)30-4)26(21(13)27)12-14-8-9-16(28-2)19(11-14)31-22(23,24)25/h5-9,11,13,15H,10,12H2,1-4H3
InChIKeyUDMJYJFTLGMXQQ-UHFFFAOYSA-N
XLogP4.72
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.43
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,5S)-3-amino-5-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
CID 118731951
(3R,5S)-5-(2,6-dimethoxyphenyl)-3-methoxy-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
CID 69082545
5-(2-ethoxy-6-fluorophenyl)-3-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
CID 69085153
1-[[4-(2,2-difluoroethoxy)phenyl]methyl]-5-(2,6-dimethoxyphenyl)-3-methylpyrrolidin-2-one
CID 86695663
(3S,5S)-3-fluoro-5-(2-fluoro-6-methoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
CID 69080086
(3S,5S)-3-chloro-5-(2-fluoro-6-methoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
CID 69082773
5-(2,6-dimethoxyphenyl)-3-methyl-1-[[2-(5-methyl-1,3-thiazol-2-yl)-4-pyridinyl]methyl]pyrrolidin-2-one
CID 86695657
5-(2-chloro-6-methoxyphenyl)-3-hydroxy-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
CID 69083631
5-(2,4-dimethoxy-3-pyridinyl)-3-methyl-1-[(3-phenylphenyl)methyl]pyrrolidin-2-one
CID 69083751
(5R)-1-[(3-methoxyphenyl)methyl]-3-methyl-5-(trifluoromethyl)pyrrolidin-2-one
CID 102390311
5-(2-fluoro-6-methoxyphenyl)-3-methyl-1-[[2-(5-methyl-1,3-thiazol-2-yl)-4-pyridinyl]methyl]pyrrolidin-2-one
CID 69081607
6-(2,6-dimethoxyphenyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2,5-dione
CID 69080200

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethoxyphenyl)-1-[[4-methoxy-3-(trifluoromethoxy)phenyl]methyl]-3-methylpyrrolidin-2-one?
The IUPAC name of 5-(2,6-dimethoxyphenyl)-1-[[4-methoxy-3-(trifluoromethoxy)phenyl]methyl]-3-methylpyrrolidin-2-one (CID 69081747) is 5-(2,6-dimethoxyphenyl)-1-[[4-methoxy-3-(trifluoromethoxy)phenyl]methyl]-3-methylpyrrolidin-2-one.
What is the SMILES notation for 5-(2,6-dimethoxyphenyl)-1-[[4-methoxy-3-(trifluoromethoxy)phenyl]methyl]-3-methylpyrrolidin-2-one?
The canonical SMILES for 5-(2,6-dimethoxyphenyl)-1-[[4-methoxy-3-(trifluoromethoxy)phenyl]methyl]-3-methylpyrrolidin-2-one is COc1ccc(CN2C(=O)C(C)CC2c2c(OC)cccc2OC)cc1OC(F)(F)F.
What is the InChIKey of 5-(2,6-dimethoxyphenyl)-1-[[4-methoxy-3-(trifluoromethoxy)phenyl]methyl]-3-methylpyrrolidin-2-one?
The InChIKey is UDMJYJFTLGMXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3NO5/c1-13-10-15(20-17(29-3)6-5-7-18(20)30-4)26(21(13)27)12-14-8-9-16(28-2)19(11-14)31-22(23,24)25/h5-9,11,13,15H,10,12H2,1-4H3.
What are the key properties of 5-(2,6-dimethoxyphenyl)-1-[[4-methoxy-3-(trifluoromethoxy)phenyl]methyl]-3-methylpyrrolidin-2-one?
5-(2,6-dimethoxyphenyl)-1-[[4-methoxy-3-(trifluoromethoxy)phenyl]methyl]-3-methylpyrrolidin-2-one has a molecular weight of 439.43 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethoxyphenyl)-1-[[4-methoxy-3-(trifluoromethoxy)phenyl]methyl]-3-methylpyrrolidin-2-one is sourced from PubChem (CID 69081747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).