3-(2,6-dichloro-4-fluoroanilino)pyrrolidine-2,5-dione

C10H7Cl2FN2O2 — CID 83077917

IUPAC3-(2,6-dichloro-4-fluoroanilino)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2c(Cl)cc(F)cc2Cl)C(=O)N1
InChIInChI=1S/C10H7Cl2FN2O2/c11-5-1-4(13)2-6(12)9(5)14-7-3-8(16)15-10(7)17/h1-2,7,14H,3H2,(H,15,16,17)
InChIKeyQDUHVFFQKNOBSF-UHFFFAOYSA-N
MW277.08 g/mol
LogP1.96
Rot. Bonds2

About 3-(2,6-dichloro-4-fluoroanilino)pyrrolidine-2,5-dione

3-(2,6-dichloro-4-fluoroanilino)pyrrolidine-2,5-dione (PubChem CID 83077917) has the molecular formula C10H7Cl2FN2O2 and a molecular weight of 277.08 g/mol. Its IUPAC name is 3-(2,6-dichloro-4-fluoroanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2,6-dichloro-4-fluoroanilino)pyrrolidine-2,5-dione
PubChem CID83077917
Molecular FormulaC10H7Cl2FN2O2
Molecular Weight277.08 g/mol
Exact Mass275.99
IUPAC Name3-(2,6-dichloro-4-fluoroanilino)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2c(Cl)cc(F)cc2Cl)C(=O)N1
InChIInChI=1S/C10H7Cl2FN2O2/c11-5-1-4(13)2-6(12)9(5)14-7-3-8(16)15-10(7)17/h1-2,7,14H,3H2,(H,15,16,17)
InChIKeyQDUHVFFQKNOBSF-UHFFFAOYSA-N
XLogP1.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.08
LogP ≤ 51.96
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-(2,6-dichloro-4-fluoroanilino)pyrrolidine-2,5-dione?
The IUPAC name of 3-(2,6-dichloro-4-fluoroanilino)pyrrolidine-2,5-dione (CID 83077917) is 3-(2,6-dichloro-4-fluoroanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2,6-dichloro-4-fluoroanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2,6-dichloro-4-fluoroanilino)pyrrolidine-2,5-dione is O=C1CC(Nc2c(Cl)cc(F)cc2Cl)C(=O)N1.
What is the InChIKey of 3-(2,6-dichloro-4-fluoroanilino)pyrrolidine-2,5-dione?
The InChIKey is QDUHVFFQKNOBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2FN2O2/c11-5-1-4(13)2-6(12)9(5)14-7-3-8(16)15-10(7)17/h1-2,7,14H,3H2,(H,15,16,17).
What are the key properties of 3-(2,6-dichloro-4-fluoroanilino)pyrrolidine-2,5-dione?
3-(2,6-dichloro-4-fluoroanilino)pyrrolidine-2,5-dione has a molecular weight of 277.08 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichloro-4-fluoroanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 83077917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).