1-(4-methoxyphenyl)-5-oxo-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide

C18H22F3N3O3 — CID 49059492

IUPAC1-(4-methoxyphenyl)-5-oxo-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NC3CCN(CC(F)(F)F)C3)CC2=O)cc1
InChIInChI=1S/C18H22F3N3O3/c1-27-15-4-2-14(3-5-15)24-9-12(8-16(24)25)17(26)22-13-6-7-23(10-13)11-18(19,20)21/h2-5,12-13H,6-11H2,1H3,(H,22,26)
InChIKeyBCURFYYOSCRDBR-UHFFFAOYSA-N
MW385.39 g/mol
LogP1.80
Rot. Bonds5

About 1-(4-methoxyphenyl)-5-oxo-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide

1-(4-methoxyphenyl)-5-oxo-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide (PubChem CID 49059492) has the molecular formula C18H22F3N3O3 and a molecular weight of 385.39 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-oxo-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-oxo-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide
PubChem CID49059492
Molecular FormulaC18H22F3N3O3
Molecular Weight385.39 g/mol
Exact Mass385.16
IUPAC Name1-(4-methoxyphenyl)-5-oxo-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NC3CCN(CC(F)(F)F)C3)CC2=O)cc1
InChIInChI=1S/C18H22F3N3O3/c1-27-15-4-2-14(3-5-15)24-9-12(8-16(24)25)17(26)22-13-6-7-23(10-13)11-18(19,20)21/h2-5,12-13H,6-11H2,1H3,(H,22,26)
InChIKeyBCURFYYOSCRDBR-UHFFFAOYSA-N
XLogP1.80
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-methoxyphenyl)-5-oxo-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229943
N-tert-butyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6459120
(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673036
3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249977
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
(3S)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673163
(3R)-N-[(4-methoxyphenyl)methyl]-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
CID 97416293
N-[2-(aminomethyl)cyclopentyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119604994
(3R)-N-(3,5-difluorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7258686
1-(4-methoxyphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119563790
N-(2-aminoethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42652621
2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 75493668

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-oxo-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-5-oxo-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide (CID 49059492) is 1-(4-methoxyphenyl)-5-oxo-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-oxo-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-5-oxo-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)NC3CCN(CC(F)(F)F)C3)CC2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-oxo-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide?
The InChIKey is BCURFYYOSCRDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O3/c1-27-15-4-2-14(3-5-15)24-9-12(8-16(24)25)17(26)22-13-6-7-23(10-13)11-18(19,20)21/h2-5,12-13H,6-11H2,1H3,(H,22,26).
What are the key properties of 1-(4-methoxyphenyl)-5-oxo-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide?
1-(4-methoxyphenyl)-5-oxo-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide has a molecular weight of 385.39 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-oxo-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 49059492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).