5-oxo-1-(2-phenylethyl)-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide

C20H19F3N2O3 — CID 43034361

IUPAC5-oxo-1-(2-phenylethyl)-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C20H19F3N2O3/c21-20(22,23)28-17-9-5-4-8-16(17)24-19(27)15-12-18(26)25(13-15)11-10-14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,24,27)
InChIKeyRHWMLPGMFMKSKU-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.61
Rot. Bonds6

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

5-oxo-1-(2-phenylethyl)-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide (PubChem CID 43034361) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is 5-oxo-1-(2-phenylethyl)-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-(2-phenylethyl)-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
PubChem CID43034361
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC Name5-oxo-1-(2-phenylethyl)-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C20H19F3N2O3/c21-20(22,23)28-17-9-5-4-8-16(17)24-19(27)15-12-18(26)25(13-15)11-10-14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,24,27)
InChIKeyRHWMLPGMFMKSKU-UHFFFAOYSA-N
XLogP3.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyphenyl)-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185346
N-(2-benzylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 4820474
(3S)-N-(4-fluorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 9100479
5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 42977398
(3S)-N-(5-fluoro-2-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 2604219
(3R)-N-(4-chloro-2,5-dimethoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 26884243
1-[2-(4-methoxyphenyl)ethyl]-5-oxo-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113184695
(3R)-N-(2-fluoro-5-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 93250933
(3S)-N-(5-chloro-2-methoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 26094799
5-oxo-1-(3-phenylpropyl)-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113185328
(3R)-N-(2,5-dichlorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 26086140
N-(4-acetamidophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 42997175

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(2-phenylethyl)-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-(2-phenylethyl)-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide (CID 43034361) is 5-oxo-1-(2-phenylethyl)-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-(2-phenylethyl)-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-(2-phenylethyl)-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide is O=C(Nc1ccccc1OC(F)(F)F)C1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of 5-oxo-1-(2-phenylethyl)-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is RHWMLPGMFMKSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c21-20(22,23)28-17-9-5-4-8-16(17)24-19(27)15-12-18(26)25(13-15)11-10-14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,24,27).
What are the key properties of 5-oxo-1-(2-phenylethyl)-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide?
5-oxo-1-(2-phenylethyl)-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 392.38 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(2-phenylethyl)-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 43034361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).