1-(2-fluorophenyl)-5-oxo-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C18H14F4N2O2 — CID 2958791

IUPAC1-(2-fluorophenyl)-5-oxo-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)C1CC(=O)N(c2ccccc2F)C1
InChIInChI=1S/C18H14F4N2O2/c19-13-6-2-4-8-15(13)24-10-11(9-16(24)25)17(26)23-14-7-3-1-5-12(14)18(20,21)22/h1-8,11H,9-10H2,(H,23,26)
InChIKeyGJUKQKWSKMJVLB-UHFFFAOYSA-N
MW366.31 g/mol
LogP3.84
Rot. Bonds3

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

1-(2-fluorophenyl)-5-oxo-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 2958791) has the molecular formula C18H14F4N2O2 and a molecular weight of 366.31 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-5-oxo-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-5-oxo-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID2958791
Molecular FormulaC18H14F4N2O2
Molecular Weight366.31 g/mol
Exact Mass366.10
IUPAC Name1-(2-fluorophenyl)-5-oxo-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)C1CC(=O)N(c2ccccc2F)C1
InChIInChI=1S/C18H14F4N2O2/c19-13-6-2-4-8-15(13)24-10-11(9-16(24)25)17(26)23-14-7-3-1-5-12(14)18(20,21)22/h1-8,11H,9-10H2,(H,23,26)
InChIKeyGJUKQKWSKMJVLB-UHFFFAOYSA-N
XLogP3.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-5-oxo-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-5-oxo-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 2958791) is 1-(2-fluorophenyl)-5-oxo-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-5-oxo-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-5-oxo-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is O=C(Nc1ccccc1C(F)(F)F)C1CC(=O)N(c2ccccc2F)C1.
What is the InChIKey of 1-(2-fluorophenyl)-5-oxo-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is GJUKQKWSKMJVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N2O2/c19-13-6-2-4-8-15(13)24-10-11(9-16(24)25)17(26)23-14-7-3-1-5-12(14)18(20,21)22/h1-8,11H,9-10H2,(H,23,26).
What are the key properties of 1-(2-fluorophenyl)-5-oxo-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
1-(2-fluorophenyl)-5-oxo-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 366.31 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-5-oxo-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 2958791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).