1-(2-chlorophenyl)-5-oxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide

C20H17ClF3N3O3 — CID 43015783

IUPAC1-(2-chlorophenyl)-5-oxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccccc1NC(=O)C1CC(=O)N(c2ccccc2Cl)C1
InChIInChI=1S/C20H17ClF3N3O3/c21-14-6-2-4-8-16(14)27-10-12(9-17(27)28)18(29)26-15-7-3-1-5-13(15)19(30)25-11-20(22,23)24/h1-8,12H,9-11H2,(H,25,30)(H,26,29)
InChIKeyBSJHCYGRJBDRJO-UHFFFAOYSA-N
MW439.82 g/mol
LogP3.62
Rot. Bonds5

About 1-(2-chlorophenyl)-5-oxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide

1-(2-chlorophenyl)-5-oxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 43015783) has the molecular formula C20H17ClF3N3O3 and a molecular weight of 439.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-oxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-oxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID43015783
Molecular FormulaC20H17ClF3N3O3
Molecular Weight439.82 g/mol
Exact Mass439.09
IUPAC Name1-(2-chlorophenyl)-5-oxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccccc1NC(=O)C1CC(=O)N(c2ccccc2Cl)C1
InChIInChI=1S/C20H17ClF3N3O3/c21-14-6-2-4-8-16(14)27-10-12(9-17(27)28)18(29)26-15-7-3-1-5-13(15)19(30)25-11-20(22,23)24/h1-8,12H,9-11H2,(H,25,30)(H,26,29)
InChIKeyBSJHCYGRJBDRJO-UHFFFAOYSA-N
XLogP3.62
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.82
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-chlorophenyl)-5-oxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)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

(3S)-1-(2-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 35544399
(3R)-1-(2-chlorophenyl)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 99158648
(3R)-N-(2-acetylphenyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 8891463
(3R)-1-(2-chlorophenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 40976145
(3S)-1-(2-chlorophenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 8832147
(3S)-1-(2-chlorophenyl)-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40569551
(3R)-1-(2-fluorophenyl)-5-oxo-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 37004962
1-(2-chlorophenyl)-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide
CID 112789630
(3S)-1-(2-chlorophenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 804381
(3R)-1-(2-chlorophenyl)-N-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056440
(3S)-N-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056525
1-(2-ethylphenyl)-5-oxo-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 45020940

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-oxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-5-oxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide (CID 43015783) is 1-(2-chlorophenyl)-5-oxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-5-oxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-5-oxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is O=C(NCC(F)(F)F)c1ccccc1NC(=O)C1CC(=O)N(c2ccccc2Cl)C1.
What is the InChIKey of 1-(2-chlorophenyl)-5-oxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is BSJHCYGRJBDRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF3N3O3/c21-14-6-2-4-8-16(14)27-10-12(9-17(27)28)18(29)26-15-7-3-1-5-13(15)19(30)25-11-20(22,23)24/h1-8,12H,9-11H2,(H,25,30)(H,26,29).
What are the key properties of 1-(2-chlorophenyl)-5-oxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide?
1-(2-chlorophenyl)-5-oxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 439.82 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-oxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 43015783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).