3-(5-chloro-2-fluoroanilino)pyrrolidine-2,5-dione

C10H8ClFN2O2 — CID 43637896

IUPAC3-(5-chloro-2-fluoroanilino)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2cc(Cl)ccc2F)C(=O)N1
InChIInChI=1S/C10H8ClFN2O2/c11-5-1-2-6(12)7(3-5)13-8-4-9(15)14-10(8)16/h1-3,8,13H,4H2,(H,14,15,16)
InChIKeyTXQGHJHPCVVIGT-UHFFFAOYSA-N
MW242.64 g/mol
LogP1.31
Rot. Bonds2

About 3-(5-chloro-2-fluoroanilino)pyrrolidine-2,5-dione

3-(5-chloro-2-fluoroanilino)pyrrolidine-2,5-dione (PubChem CID 43637896) has the molecular formula C10H8ClFN2O2 and a molecular weight of 242.64 g/mol. Its IUPAC name is 3-(5-chloro-2-fluoroanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(5-chloro-2-fluoroanilino)pyrrolidine-2,5-dione
PubChem CID43637896
Molecular FormulaC10H8ClFN2O2
Molecular Weight242.64 g/mol
Exact Mass242.03
IUPAC Name3-(5-chloro-2-fluoroanilino)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2cc(Cl)ccc2F)C(=O)N1
InChIInChI=1S/C10H8ClFN2O2/c11-5-1-2-6(12)7(3-5)13-8-4-9(15)14-10(8)16/h1-3,8,13H,4H2,(H,14,15,16)
InChIKeyTXQGHJHPCVVIGT-UHFFFAOYSA-N
XLogP1.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.64
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-fluoroanilino)pyrrolidine-2,5-dione?
The IUPAC name of 3-(5-chloro-2-fluoroanilino)pyrrolidine-2,5-dione (CID 43637896) is 3-(5-chloro-2-fluoroanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(5-chloro-2-fluoroanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(5-chloro-2-fluoroanilino)pyrrolidine-2,5-dione is O=C1CC(Nc2cc(Cl)ccc2F)C(=O)N1.
What is the InChIKey of 3-(5-chloro-2-fluoroanilino)pyrrolidine-2,5-dione?
The InChIKey is TXQGHJHPCVVIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O2/c11-5-1-2-6(12)7(3-5)13-8-4-9(15)14-10(8)16/h1-3,8,13H,4H2,(H,14,15,16).
What are the key properties of 3-(5-chloro-2-fluoroanilino)pyrrolidine-2,5-dione?
3-(5-chloro-2-fluoroanilino)pyrrolidine-2,5-dione has a molecular weight of 242.64 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-fluoroanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 43637896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).