N-[2-(dimethylamino)-1-phenylethyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide

C23H26F3N3O2 — CID 78881689

IUPACN-[2-(dimethylamino)-1-phenylethyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESCN(C)CC(NC(=O)C1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1ccccc1
InChIInChI=1S/C23H26F3N3O2/c1-28(2)15-20(17-8-4-3-5-9-17)27-22(31)18-12-21(30)29(14-18)13-16-7-6-10-19(11-16)23(24,25)26/h3-11,18,20H,12-15H2,1-2H3,(H,27,31)
InChIKeyUXAFXZPWRUQLND-UHFFFAOYSA-N
MW433.47 g/mol
LogP3.47
Rot. Bonds7

About N-[2-(dimethylamino)-1-phenylethyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide

N-[2-(dimethylamino)-1-phenylethyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 78881689) has the molecular formula C23H26F3N3O2 and a molecular weight of 433.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)-1-phenylethyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-1-phenylethyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
PubChem CID78881689
Molecular FormulaC23H26F3N3O2
Molecular Weight433.47 g/mol
Exact Mass433.20
IUPAC NameN-[2-(dimethylamino)-1-phenylethyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESCN(C)CC(NC(=O)C1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1ccccc1
InChIInChI=1S/C23H26F3N3O2/c1-28(2)15-20(17-8-4-3-5-9-17)27-22(31)18-12-21(30)29(14-18)13-16-7-6-10-19(11-16)23(24,25)26/h3-11,18,20H,12-15H2,1-2H3,(H,27,31)
InChIKeyUXAFXZPWRUQLND-UHFFFAOYSA-N
XLogP3.47
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-N-(2,2,2-trifluoro-1-phenylethyl)pyrrolidine-3-carboxamide
CID 60556882
methyl 3-(2-chlorophenyl)-3-[[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]amino]propanoate
CID 55741240
N-[2-(N-methylanilino)ethyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55740906
2,2-dimethyl-3-[[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]amino]propanoic acid
CID 119249849
N-(2-amino-2-methylpropyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119627320
N-(2-amino-1-cyclopropylethyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119614384
1-[(4-methylphenyl)methyl]-5-oxo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide
CID 112763936
N-(1-aminopropan-2-yl)-N-methyl-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119582564
N-(2-iodophenyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55738631
N-[(4-methylphenyl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 46489423
N-[(3-methylphenyl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55738809
(3R)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 97252431

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-1-phenylethyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-1-phenylethyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide (CID 78881689) is N-[2-(dimethylamino)-1-phenylethyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-1-phenylethyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-1-phenylethyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide is CN(C)CC(NC(=O)C1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1)c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-1-phenylethyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is UXAFXZPWRUQLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O2/c1-28(2)15-20(17-8-4-3-5-9-17)27-22(31)18-12-21(30)29(14-18)13-16-7-6-10-19(11-16)23(24,25)26/h3-11,18,20H,12-15H2,1-2H3,(H,27,31).
What are the key properties of N-[2-(dimethylamino)-1-phenylethyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
N-[2-(dimethylamino)-1-phenylethyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 433.47 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-1-phenylethyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 78881689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).