1-propyl-3-(3,4,5-trifluoroanilino)pyrrolidine-2,5-dione

C13H13F3N2O2 — CID 62809172

IUPAC1-propyl-3-(3,4,5-trifluoroanilino)pyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(Nc2cc(F)c(F)c(F)c2)C1=O
InChIInChI=1S/C13H13F3N2O2/c1-2-3-18-11(19)6-10(13(18)20)17-7-4-8(14)12(16)9(15)5-7/h4-5,10,17H,2-3,6H2,1H3
InChIKeyKRACZUSMEYRKBF-UHFFFAOYSA-N
MW286.25 g/mol
LogP2.05
Rot. Bonds4

About 1-propyl-3-(3,4,5-trifluoroanilino)pyrrolidine-2,5-dione

1-propyl-3-(3,4,5-trifluoroanilino)pyrrolidine-2,5-dione (PubChem CID 62809172) has the molecular formula C13H13F3N2O2 and a molecular weight of 286.25 g/mol. Its IUPAC name is 1-propyl-3-(3,4,5-trifluoroanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-propyl-3-(3,4,5-trifluoroanilino)pyrrolidine-2,5-dione
PubChem CID62809172
Molecular FormulaC13H13F3N2O2
Molecular Weight286.25 g/mol
Exact Mass286.09
IUPAC Name1-propyl-3-(3,4,5-trifluoroanilino)pyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(Nc2cc(F)c(F)c(F)c2)C1=O
InChIInChI=1S/C13H13F3N2O2/c1-2-3-18-11(19)6-10(13(18)20)17-7-4-8(14)12(16)9(15)5-7/h4-5,10,17H,2-3,6H2,1H3
InChIKeyKRACZUSMEYRKBF-UHFFFAOYSA-N
XLogP2.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-(3,4,5-trifluoroanilino)pyrrolidine-2,5-dione?
The IUPAC name of 1-propyl-3-(3,4,5-trifluoroanilino)pyrrolidine-2,5-dione (CID 62809172) is 1-propyl-3-(3,4,5-trifluoroanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-propyl-3-(3,4,5-trifluoroanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-propyl-3-(3,4,5-trifluoroanilino)pyrrolidine-2,5-dione is CCCN1C(=O)CC(Nc2cc(F)c(F)c(F)c2)C1=O.
What is the InChIKey of 1-propyl-3-(3,4,5-trifluoroanilino)pyrrolidine-2,5-dione?
The InChIKey is KRACZUSMEYRKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2/c1-2-3-18-11(19)6-10(13(18)20)17-7-4-8(14)12(16)9(15)5-7/h4-5,10,17H,2-3,6H2,1H3.
What are the key properties of 1-propyl-3-(3,4,5-trifluoroanilino)pyrrolidine-2,5-dione?
1-propyl-3-(3,4,5-trifluoroanilino)pyrrolidine-2,5-dione has a molecular weight of 286.25 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-(3,4,5-trifluoroanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 62809172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).