N-[3-cyclopropyl-5-(trifluoromethyl)phenyl]-1-(2-methoxyphenyl)-5-oxo-3-propan-2-ylpyrrolidine-3-carboxamide

C25H27F3N2O3 — CID 51034333

IUPACN-[3-cyclopropyl-5-(trifluoromethyl)phenyl]-1-(2-methoxyphenyl)-5-oxo-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCOc1ccccc1N1CC(C(=O)Nc2cc(C3CC3)cc(C(F)(F)F)c2)(C(C)C)CC1=O
InChIInChI=1S/C25H27F3N2O3/c1-15(2)24(13-22(31)30(14-24)20-6-4-5-7-21(20)33-3)23(32)29-19-11-17(16-8-9-16)10-18(12-19)25(26,27)28/h4-7,10-12,15-16H,8-9,13-14H2,1-3H3,(H,29,32)
InChIKeyGAWWCXQOUFLDKT-UHFFFAOYSA-N
MW460.50 g/mol
LogP5.61
Rot. Bonds6

About N-[3-cyclopropyl-5-(trifluoromethyl)phenyl]-1-(2-methoxyphenyl)-5-oxo-3-propan-2-ylpyrrolidine-3-carboxamide

N-[3-cyclopropyl-5-(trifluoromethyl)phenyl]-1-(2-methoxyphenyl)-5-oxo-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 51034333) has the molecular formula C25H27F3N2O3 and a molecular weight of 460.50 g/mol. Its IUPAC name is N-[3-cyclopropyl-5-(trifluoromethyl)phenyl]-1-(2-methoxyphenyl)-5-oxo-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-5-(trifluoromethyl)phenyl]-1-(2-methoxyphenyl)-5-oxo-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID51034333
Molecular FormulaC25H27F3N2O3
Molecular Weight460.50 g/mol
Exact Mass460.20
IUPAC NameN-[3-cyclopropyl-5-(trifluoromethyl)phenyl]-1-(2-methoxyphenyl)-5-oxo-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCOc1ccccc1N1CC(C(=O)Nc2cc(C3CC3)cc(C(F)(F)F)c2)(C(C)C)CC1=O
InChIInChI=1S/C25H27F3N2O3/c1-15(2)24(13-22(31)30(14-24)20-6-4-5-7-21(20)33-3)23(32)29-19-11-17(16-8-9-16)10-18(12-19)25(26,27)28/h4-7,10-12,15-16H,8-9,13-14H2,1-3H3,(H,29,32)
InChIKeyGAWWCXQOUFLDKT-UHFFFAOYSA-N
XLogP5.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.50
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-cyclopropyl-5-(trifluoromethyl)phenyl]-1-(2-methoxyphenyl)-5-oxo-3-propan-2-ylpyrrolidine-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

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-5-(trifluoromethyl)phenyl]-1-(2-methoxyphenyl)-5-oxo-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[3-cyclopropyl-5-(trifluoromethyl)phenyl]-1-(2-methoxyphenyl)-5-oxo-3-propan-2-ylpyrrolidine-3-carboxamide (CID 51034333) is N-[3-cyclopropyl-5-(trifluoromethyl)phenyl]-1-(2-methoxyphenyl)-5-oxo-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-cyclopropyl-5-(trifluoromethyl)phenyl]-1-(2-methoxyphenyl)-5-oxo-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-cyclopropyl-5-(trifluoromethyl)phenyl]-1-(2-methoxyphenyl)-5-oxo-3-propan-2-ylpyrrolidine-3-carboxamide is COc1ccccc1N1CC(C(=O)Nc2cc(C3CC3)cc(C(F)(F)F)c2)(C(C)C)CC1=O.
What is the InChIKey of N-[3-cyclopropyl-5-(trifluoromethyl)phenyl]-1-(2-methoxyphenyl)-5-oxo-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is GAWWCXQOUFLDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N2O3/c1-15(2)24(13-22(31)30(14-24)20-6-4-5-7-21(20)33-3)23(32)29-19-11-17(16-8-9-16)10-18(12-19)25(26,27)28/h4-7,10-12,15-16H,8-9,13-14H2,1-3H3,(H,29,32).
What are the key properties of N-[3-cyclopropyl-5-(trifluoromethyl)phenyl]-1-(2-methoxyphenyl)-5-oxo-3-propan-2-ylpyrrolidine-3-carboxamide?
N-[3-cyclopropyl-5-(trifluoromethyl)phenyl]-1-(2-methoxyphenyl)-5-oxo-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 460.50 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-5-(trifluoromethyl)phenyl]-1-(2-methoxyphenyl)-5-oxo-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 51034333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).