4-[2-(2,5-Dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C19H23F3N2O4 — CID 45878184

IUPAC4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCOC1=CC(=C(C=C1)OC)C2CCCN2C(=O)C3CC(=O)N(C3)CC(F)(F)F
InChIInChI=1S/C19H23F3N2O4/c1-27-13-5-6-16(28-2)14(9-13)15-4-3-7-24(15)18(26)12-8-17(25)23(10-12)11-19(20,21)22/h5-6,9,12,15H,3-4,7-8,10-11H2,1-2H3
InChIKeyDFCQVXXDUURHPL-UHFFFAOYSA-N
MW400.40 g/mol
LogP2.00
Rot. Bonds5

About 4-[2-(2,5-Dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

4-[2-(2,5-Dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 45878184) has the molecular formula C19H23F3N2O4 and a molecular weight of 400.40 g/mol. Its IUPAC name is 4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[2-(2,5-Dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID45878184
Molecular FormulaC19H23F3N2O4
Molecular Weight400.40 g/mol
Exact Mass400.16
IUPAC Name4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESCOC1=CC(=C(C=C1)OC)C2CCCN2C(=O)C3CC(=O)N(C3)CC(F)(F)F
InChIInChI=1S/C19H23F3N2O4/c1-27-13-5-6-16(28-2)14(9-13)15-4-3-7-24(15)18(26)12-8-17(25)23(10-12)11-19(20,21)22/h5-6,9,12,15H,3-4,7-8,10-11H2,1-2H3
InChIKeyDFCQVXXDUURHPL-UHFFFAOYSA-N
XLogP2.00
TPSA59.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity586

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3S,5S)-3-fluoro-5-(2-fluoro-6-methoxyphenyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
CID 69080293
5-(2,6-Dimethoxyphenyl)-1-(2-methoxy-5-(trifluoromethoxy)benzyl)-3-methylpyrrolidin-2-one
CID 69085711
1-cyclooctyl-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4581707
1-benzyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 25161938
(3R,5S)-5-(3-methoxyphenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
CID 44565105
(3R,5S)-5-(3-methoxyphenyl)-1-methyl-3-(pyrrolidin-1-ylmethyl)pyrrolidin-2-one
CID 44565106
(3R,5S)-5-(2-methoxyphenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
CID 44565109
1-cyclopentyl-N-(2-methoxybenzyl)-5-oxopyrrolidine-3-carboxamide
CID 3241771
N-[[2-(difluoromethoxy)phenyl]methyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 18165059
N-(2,5-dimethoxybenzyl)-6-oxo-1-[3-(2-oxo-1-pyrrolidinyl)propyl]-3-piperidinecarboxamide
CID 24817302
N-[(2,5-dimethoxyphenyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 42956888
1-[(3-Methoxyphenyl)methyl]-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 46109745

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,5-Dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of 4-[2-(2,5-Dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 45878184) is 4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[2-(2,5-Dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 4-[2-(2,5-Dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)C3CC(=O)N(C3)CC(F)(F)F.
What is the InChIKey of 4-[2-(2,5-Dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is DFCQVXXDUURHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O4/c1-27-13-5-6-16(28-2)14(9-13)15-4-3-7-24(15)18(26)12-8-17(25)23(10-12)11-19(20,21)22/h5-6,9,12,15H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 4-[2-(2,5-Dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
4-[2-(2,5-Dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 400.40 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,5-Dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 45878184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).