3-fluoro-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrrolidine-3-carboxamide

C14H15F4N3O2 — CID 171327611

IUPAC3-fluoro-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1(F)CCN(CC(=O)Nc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C14H15F4N3O2/c15-13(12(19)23)5-6-21(8-13)7-11(22)20-10-4-2-1-3-9(10)14(16,17)18/h1-4H,5-8H2,(H2,19,23)(H,20,22)
InChIKeyZFFNPARUUZKAKO-UHFFFAOYSA-N
MW333.29 g/mol
LogP1.54
Rot. Bonds4

About 3-fluoro-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrrolidine-3-carboxamide

3-fluoro-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrrolidine-3-carboxamide (PubChem CID 171327611) has the molecular formula C14H15F4N3O2 and a molecular weight of 333.29 g/mol. Its IUPAC name is 3-fluoro-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-fluoro-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrrolidine-3-carboxamide
PubChem CID171327611
Molecular FormulaC14H15F4N3O2
Molecular Weight333.29 g/mol
Exact Mass333.11
IUPAC Name3-fluoro-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1(F)CCN(CC(=O)Nc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C14H15F4N3O2/c15-13(12(19)23)5-6-21(8-13)7-11(22)20-10-4-2-1-3-9(10)14(16,17)18/h1-4H,5-8H2,(H2,19,23)(H,20,22)
InChIKeyZFFNPARUUZKAKO-UHFFFAOYSA-N
XLogP1.54
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.29
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8583773
2-(3-fluoropyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 171327625
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2989364
2-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 136538286
2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]-N-propylacetamide
CID 30963694
N-(2-methylpropyl)-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide
CID 9348957
2-[4-[2-(2,5-difluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 39777880
2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 30963766
2-[4-(2-adamantyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 22193948
2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9429545
2-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 133382760
N-[2-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199190

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 3-fluoro-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrrolidine-3-carboxamide (CID 171327611) is 3-fluoro-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-fluoro-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 3-fluoro-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrrolidine-3-carboxamide is NC(=O)C1(F)CCN(CC(=O)Nc2ccccc2C(F)(F)F)C1.
What is the InChIKey of 3-fluoro-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrrolidine-3-carboxamide?
The InChIKey is ZFFNPARUUZKAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F4N3O2/c15-13(12(19)23)5-6-21(8-13)7-11(22)20-10-4-2-1-3-9(10)14(16,17)18/h1-4H,5-8H2,(H2,19,23)(H,20,22).
What are the key properties of 3-fluoro-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrrolidine-3-carboxamide?
3-fluoro-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrrolidine-3-carboxamide has a molecular weight of 333.29 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 171327611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).