N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide

C23H25F2N3O6 — CID 55585437

IUPACN-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)C(NC(=O)C1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1)c1ccc(F)c(F)c1
InChIInChI=1S/C23H25F2N3O6/c1-26-23(31)20(12-5-6-15(24)16(25)7-12)27-22(30)13-8-19(29)28(11-13)14-9-17(32-2)21(34-4)18(10-14)33-3/h5-7,9-10,13,20H,8,11H2,1-4H3,(H,26,31)(H,27,30)
InChIKeyVUHVYGOUYAJQNL-UHFFFAOYSA-N
MW477.46 g/mol
LogP1.95
Rot. Bonds8

About N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide

N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 55585437) has the molecular formula C23H25F2N3O6 and a molecular weight of 477.46 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID55585437
Molecular FormulaC23H25F2N3O6
Molecular Weight477.46 g/mol
Exact Mass477.17
IUPAC NameN-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)C(NC(=O)C1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1)c1ccc(F)c(F)c1
InChIInChI=1S/C23H25F2N3O6/c1-26-23(31)20(12-5-6-15(24)16(25)7-12)27-22(30)13-8-19(29)28(11-13)14-9-17(32-2)21(34-4)18(10-14)33-3/h5-7,9-10,13,20H,8,11H2,1-4H3,(H,26,31)(H,27,30)
InChIKeyVUHVYGOUYAJQNL-UHFFFAOYSA-N
XLogP1.95
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.46
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)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

5-oxo-1-(3,4,5-trimethoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 55709359
2-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 119348548
N-(2,5-difluorophenyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55576754
1-(4-methoxyphenyl)-5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 6484633
N-[2-(methylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120826862
N-ethyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 43057493
(3R)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 124679906
(3S)-5-oxo-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 40634799
N-[1-(3,4-difluorophenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 112764157
N-[(2R)-2-(ethylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120650496
N-(3-methylbutyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55570729
N'-(3-chlorophenyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbohydrazide
CID 43057495

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide (CID 55585437) is N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide is CNC(=O)C(NC(=O)C1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is VUHVYGOUYAJQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O6/c1-26-23(31)20(12-5-6-15(24)16(25)7-12)27-22(30)13-8-19(29)28(11-13)14-9-17(32-2)21(34-4)18(10-14)33-3/h5-7,9-10,13,20H,8,11H2,1-4H3,(H,26,31)(H,27,30).
What are the key properties of N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 477.46 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55585437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).