5-oxo-1-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide

C11H9F3N2O2 — CID 168697904

IUPAC5-oxo-1-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2cc(F)c(F)c(F)c2)C1
InChIInChI=1S/C11H9F3N2O2/c12-7-2-6(3-8(13)10(7)14)16-4-5(11(15)18)1-9(16)17/h2-3,5H,1,4H2,(H2,15,18)
InChIKeyXSVYZMDMQYOQLZ-UHFFFAOYSA-N
MW258.20 g/mol
LogP0.94
Rot. Bonds2

About 5-oxo-1-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide

5-oxo-1-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide (PubChem CID 168697904) has the molecular formula C11H9F3N2O2 and a molecular weight of 258.20 g/mol. Its IUPAC name is 5-oxo-1-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
PubChem CID168697904
Molecular FormulaC11H9F3N2O2
Molecular Weight258.20 g/mol
Exact Mass258.06
IUPAC Name5-oxo-1-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2cc(F)c(F)c(F)c2)C1
InChIInChI=1S/C11H9F3N2O2/c12-7-2-6(3-8(13)10(7)14)16-4-5(11(15)18)1-9(16)17/h2-3,5H,1,4H2,(H2,15,18)
InChIKeyXSVYZMDMQYOQLZ-UHFFFAOYSA-N
XLogP0.94
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dichloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697899
1-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696566
1-(4-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697901
(3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94076238
1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697847
1-(3,5-dichloro-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697676
1-(4-bromo-2,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697577
1-(2-bromo-4,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697672
1-(2-amino-4,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168698300
1-(2,3-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168698402
1-[3-chloro-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168698246
1-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697806

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide (CID 168697904) is 5-oxo-1-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(c2cc(F)c(F)c(F)c2)C1.
What is the InChIKey of 5-oxo-1-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide?
The InChIKey is XSVYZMDMQYOQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2/c12-7-2-6(3-8(13)10(7)14)16-4-5(11(15)18)1-9(16)17/h2-3,5H,1,4H2,(H2,15,18).
What are the key properties of 5-oxo-1-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide?
5-oxo-1-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide has a molecular weight of 258.20 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 168697904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).