N-[(2,5-dimethoxyphenyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C16H19F3N2O4 — CID 42956888

IUPACN-[(2,5-dimethoxyphenyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)C2CC(=O)N(CC(F)(F)F)C2)c1
InChIInChI=1S/C16H19F3N2O4/c1-24-12-3-4-13(25-2)10(5-12)7-20-15(23)11-6-14(22)21(8-11)9-16(17,18)19/h3-5,11H,6-9H2,1-2H3,(H,20,23)
InChIKeyWVFQQKIEMGKCTH-UHFFFAOYSA-N
MW360.33 g/mol
LogP1.73
Rot. Bonds6

About N-[(2,5-dimethoxyphenyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

N-[(2,5-dimethoxyphenyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 42956888) has the molecular formula C16H19F3N2O4 and a molecular weight of 360.33 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID42956888
Molecular FormulaC16H19F3N2O4
Molecular Weight360.33 g/mol
Exact Mass360.13
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)C2CC(=O)N(CC(F)(F)F)C2)c1
InChIInChI=1S/C16H19F3N2O4/c1-24-12-3-4-13(25-2)10(5-12)7-20-15(23)11-6-14(22)21(8-11)9-16(17,18)19/h3-5,11H,6-9H2,1-2H3,(H,20,23)
InChIKeyWVFQQKIEMGKCTH-UHFFFAOYSA-N
XLogP1.73
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2,5-dimethoxyphenyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)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

(3S)-N-[2-(2-methoxyphenyl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 35697948
(3R)-N-[(2,5-difluorophenyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 124537618
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 42454269
(3R)-N-[[3-(methoxymethyl)phenyl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 94820599
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 86954954
N-(3-amino-4-methoxyphenyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119420226
1-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46586700
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 51154053
(3R)-N-[(4-methoxyphenyl)methyl]-5-oxo-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
CID 97416293
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 55606164
N-[[3-(dimethylamino)phenyl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 51100823
1-(2,4-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 51149994

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 42956888) is N-[(2,5-dimethoxyphenyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is COc1ccc(OC)c(CNC(=O)C2CC(=O)N(CC(F)(F)F)C2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is WVFQQKIEMGKCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O4/c1-24-12-3-4-13(25-2)10(5-12)7-20-15(23)11-6-14(22)21(8-11)9-16(17,18)19/h3-5,11H,6-9H2,1-2H3,(H,20,23).
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
N-[(2,5-dimethoxyphenyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 360.33 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 42956888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).