N-(3-acetamido-4-fluorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C20H17F4N3O3 — CID 46553483

IUPACN-(3-acetamido-4-fluorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)C2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)ccc1F
InChIInChI=1S/C20H17F4N3O3/c1-11(28)25-17-9-14(5-6-16(17)21)26-19(30)12-7-18(29)27(10-12)15-4-2-3-13(8-15)20(22,23)24/h2-6,8-9,12H,7,10H2,1H3,(H,25,28)(H,26,30)
InChIKeyXDKFSRAOPQORIY-UHFFFAOYSA-N
MW423.37 g/mol
LogP3.79
Rot. Bonds4

About N-(3-acetamido-4-fluorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

N-(3-acetamido-4-fluorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 46553483) has the molecular formula C20H17F4N3O3 and a molecular weight of 423.37 g/mol. Its IUPAC name is N-(3-acetamido-4-fluorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-4-fluorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID46553483
Molecular FormulaC20H17F4N3O3
Molecular Weight423.37 g/mol
Exact Mass423.12
IUPAC NameN-(3-acetamido-4-fluorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)C2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)ccc1F
InChIInChI=1S/C20H17F4N3O3/c1-11(28)25-17-9-14(5-6-16(17)21)26-19(30)12-7-18(29)27(10-12)15-4-2-3-13(8-15)20(22,23)24/h2-6,8-9,12H,7,10H2,1H3,(H,25,28)(H,26,30)
InChIKeyXDKFSRAOPQORIY-UHFFFAOYSA-N
XLogP3.79
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.37
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-acetamido-4-fluorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]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

N-(3,4-difluorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188669
(3R)-1-(3-acetamidophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 92719769
(3S)-1-(3-chlorophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 9004872
N-(3-chloro-4-methylphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188658
N-(5-acetamido-2-fluorophenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 42947590
(3S)-1-(3-acetamidophenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727107
(3R)-1-(4-chlorophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 1103942
5-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46789600
N-(2-methylsulfanylphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46806850
(3S)-5-oxo-N-(2-oxochromen-6-yl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42571043
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 55624142
1-(3-methoxyphenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46635658

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-fluorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-(3-acetamido-4-fluorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 46553483) is N-(3-acetamido-4-fluorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-acetamido-4-fluorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-acetamido-4-fluorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is CC(=O)Nc1cc(NC(=O)C2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)ccc1F.
What is the InChIKey of N-(3-acetamido-4-fluorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is XDKFSRAOPQORIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F4N3O3/c1-11(28)25-17-9-14(5-6-16(17)21)26-19(30)12-7-18(29)27(10-12)15-4-2-3-13(8-15)20(22,23)24/h2-6,8-9,12H,7,10H2,1H3,(H,25,28)(H,26,30).
What are the key properties of N-(3-acetamido-4-fluorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
N-(3-acetamido-4-fluorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 423.37 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-fluorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 46553483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).