1-[3-fluoro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide

C12H10F4N2O2 — CID 168698399

IUPAC1-[3-fluoro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2cccc(F)c2C(F)(F)F)C1
InChIInChI=1S/C12H10F4N2O2/c13-7-2-1-3-8(10(7)12(14,15)16)18-5-6(11(17)20)4-9(18)19/h1-3,6H,4-5H2,(H2,17,20)
InChIKeyNBJVEIORTMAETP-UHFFFAOYSA-N
MW290.22 g/mol
LogP1.68
Rot. Bonds2

About 1-[3-fluoro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide

1-[3-fluoro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 168698399) has the molecular formula C12H10F4N2O2 and a molecular weight of 290.22 g/mol. Its IUPAC name is 1-[3-fluoro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-fluoro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID168698399
Molecular FormulaC12H10F4N2O2
Molecular Weight290.22 g/mol
Exact Mass290.07
IUPAC Name1-[3-fluoro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2cccc(F)c2C(F)(F)F)C1
InChIInChI=1S/C12H10F4N2O2/c13-7-2-1-3-8(10(7)12(14,15)16)18-5-6(11(17)20)4-9(18)19/h1-3,6H,4-5H2,(H2,17,20)
InChIKeyNBJVEIORTMAETP-UHFFFAOYSA-N
XLogP1.68
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.22
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168698402
4-ethenyl-1-[3-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168686481
(3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42579807
5-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 168698147
1-[2-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168697662
1-[2-chloro-6-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168697516
5-oxo-1-(1-oxo-3H-2-benzofuran-4-yl)pyrrolidine-3-carboxamide
CID 168698429
5-oxo-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 168698366
1-[2-(aminomethyl)-3-fluorophenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691423
1-(4-bromo-2,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697577
1-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168697394
1-(2-bromo-4,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697672

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[3-fluoro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 168698399) is 1-[3-fluoro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[3-fluoro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[3-fluoro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(c2cccc(F)c2C(F)(F)F)C1.
What is the InChIKey of 1-[3-fluoro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NBJVEIORTMAETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4N2O2/c13-7-2-1-3-8(10(7)12(14,15)16)18-5-6(11(17)20)4-9(18)19/h1-3,6H,4-5H2,(H2,17,20).
What are the key properties of 1-[3-fluoro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-[3-fluoro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 290.22 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168698399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).