5-oxo-N-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide

C14H15F3N2O3 — CID 75518874

IUPAC5-oxo-N-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(C(NC(=O)C2CCC(=O)N2)C(F)(F)F)cc1
InChIInChI=1S/C14H15F3N2O3/c1-22-9-4-2-8(3-5-9)12(14(15,16)17)19-13(21)10-6-7-11(20)18-10/h2-5,10,12H,6-7H2,1H3,(H,18,20)(H,19,21)
InChIKeyFOPSWMVDHQZVIY-UHFFFAOYSA-N
MW316.28 g/mol
LogP1.69
Rot. Bonds4

About 5-oxo-N-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide

5-oxo-N-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 75518874) has the molecular formula C14H15F3N2O3 and a molecular weight of 316.28 g/mol. Its IUPAC name is 5-oxo-N-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
PubChem CID75518874
Molecular FormulaC14H15F3N2O3
Molecular Weight316.28 g/mol
Exact Mass316.10
IUPAC Name5-oxo-N-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(C(NC(=O)C2CCC(=O)N2)C(F)(F)F)cc1
InChIInChI=1S/C14H15F3N2O3/c1-22-9-4-2-8(3-5-9)12(14(15,16)17)19-13(21)10-6-7-11(20)18-10/h2-5,10,12H,6-7H2,1H3,(H,18,20)(H,19,21)
InChIKeyFOPSWMVDHQZVIY-UHFFFAOYSA-N
XLogP1.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 5-oxo-N-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide (CID 75518874) is 5-oxo-N-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 5-oxo-N-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 5-oxo-N-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide is COc1ccc(C(NC(=O)C2CCC(=O)N2)C(F)(F)F)cc1.
What is the InChIKey of 5-oxo-N-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is FOPSWMVDHQZVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O3/c1-22-9-4-2-8(3-5-9)12(14(15,16)17)19-13(21)10-6-7-11(20)18-10/h2-5,10,12H,6-7H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 5-oxo-N-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide?
5-oxo-N-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 316.28 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 75518874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).