3,3,3-trifluoro-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]propanamide

C18H23F3N2O3 — CID 51121407

IUPAC3,3,3-trifluoro-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]propanamide
SMILESCCC(NC(=O)CC(F)(F)F)c1ccccc1OCC(=O)N1CCCC1
InChIInChI=1S/C18H23F3N2O3/c1-2-14(22-16(24)11-18(19,20)21)13-7-3-4-8-15(13)26-12-17(25)23-9-5-6-10-23/h3-4,7-8,14H,2,5-6,9-12H2,1H3,(H,22,24)
InChIKeyLVHVZVIRGZTDRR-UHFFFAOYSA-N
MW372.39 g/mol
LogP3.21
Rot. Bonds7

About 3,3,3-trifluoro-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]propanamide

3,3,3-trifluoro-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]propanamide (PubChem CID 51121407) has the molecular formula C18H23F3N2O3 and a molecular weight of 372.39 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]propanamide
PubChem CID51121407
Molecular FormulaC18H23F3N2O3
Molecular Weight372.39 g/mol
Exact Mass372.17
IUPAC Name3,3,3-trifluoro-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]propanamide
SMILESCCC(NC(=O)CC(F)(F)F)c1ccccc1OCC(=O)N1CCCC1
InChIInChI=1S/C18H23F3N2O3/c1-2-14(22-16(24)11-18(19,20)21)13-7-3-4-8-15(13)26-12-17(25)23-9-5-6-10-23/h3-4,7-8,14H,2,5-6,9-12H2,1H3,(H,22,24)
InChIKeyLVHVZVIRGZTDRR-UHFFFAOYSA-N
XLogP3.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]propanamide (CID 51121407) is 3,3,3-trifluoro-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]propanamide is CCC(NC(=O)CC(F)(F)F)c1ccccc1OCC(=O)N1CCCC1.
What is the InChIKey of 3,3,3-trifluoro-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]propanamide?
The InChIKey is LVHVZVIRGZTDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O3/c1-2-14(22-16(24)11-18(19,20)21)13-7-3-4-8-15(13)26-12-17(25)23-9-5-6-10-23/h3-4,7-8,14H,2,5-6,9-12H2,1H3,(H,22,24).
What are the key properties of 3,3,3-trifluoro-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]propanamide?
3,3,3-trifluoro-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]propanamide has a molecular weight of 372.39 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]propanamide is sourced from PubChem (CID 51121407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).