3-(3-fluoroanilino)-1-phenylpyrrolidine-2,5-dione

C16H13FN2O2 — CID 43410376

IUPAC3-(3-fluoroanilino)-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(Nc2cccc(F)c2)C(=O)N1c1ccccc1
InChIInChI=1S/C16H13FN2O2/c17-11-5-4-6-12(9-11)18-14-10-15(20)19(16(14)21)13-7-2-1-3-8-13/h1-9,14,18H,10H2
InChIKeyFZSHUOCAZJDLLY-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.57
Rot. Bonds3

About 3-(3-fluoroanilino)-1-phenylpyrrolidine-2,5-dione

3-(3-fluoroanilino)-1-phenylpyrrolidine-2,5-dione (PubChem CID 43410376) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 3-(3-fluoroanilino)-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3-fluoroanilino)-1-phenylpyrrolidine-2,5-dione
PubChem CID43410376
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name3-(3-fluoroanilino)-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(Nc2cccc(F)c2)C(=O)N1c1ccccc1
InChIInChI=1S/C16H13FN2O2/c17-11-5-4-6-12(9-11)18-14-10-15(20)19(16(14)21)13-7-2-1-3-8-13/h1-9,14,18H,10H2
InChIKeyFZSHUOCAZJDLLY-UHFFFAOYSA-N
XLogP2.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
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-(3-fluoroanilino)-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-(3-fluoroanilino)-1-phenylpyrrolidine-2,5-dione (CID 43410376) is 3-(3-fluoroanilino)-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3-fluoroanilino)-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(3-fluoroanilino)-1-phenylpyrrolidine-2,5-dione is O=C1CC(Nc2cccc(F)c2)C(=O)N1c1ccccc1.
What is the InChIKey of 3-(3-fluoroanilino)-1-phenylpyrrolidine-2,5-dione?
The InChIKey is FZSHUOCAZJDLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-11-5-4-6-12(9-11)18-14-10-15(20)19(16(14)21)13-7-2-1-3-8-13/h1-9,14,18H,10H2.
What are the key properties of 3-(3-fluoroanilino)-1-phenylpyrrolidine-2,5-dione?
3-(3-fluoroanilino)-1-phenylpyrrolidine-2,5-dione has a molecular weight of 284.29 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoroanilino)-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 43410376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).