1-(3,4-dichlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione

C16H11Cl2FN2O2 — CID 43844934

IUPAC1-(3,4-dichlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccccc2F)C(=O)N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H11Cl2FN2O2/c17-10-6-5-9(7-11(10)18)21-15(22)8-14(16(21)23)20-13-4-2-1-3-12(13)19/h1-7,14,20H,8H2
InChIKeyYLPBFDAVZXKHDK-UHFFFAOYSA-N
MW353.18 g/mol
LogP3.88
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione

1-(3,4-dichlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione (PubChem CID 43844934) has the molecular formula C16H11Cl2FN2O2 and a molecular weight of 353.18 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
PubChem CID43844934
Molecular FormulaC16H11Cl2FN2O2
Molecular Weight353.18 g/mol
Exact Mass352.02
IUPAC Name1-(3,4-dichlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccccc2F)C(=O)N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H11Cl2FN2O2/c17-10-6-5-9(7-11(10)18)21-15(22)8-14(16(21)23)20-13-4-2-1-3-12(13)19/h1-7,14,20H,8H2
InChIKeyYLPBFDAVZXKHDK-UHFFFAOYSA-N
XLogP3.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.18
LogP ≤ 53.88
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 1-(3,4-dichlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione (CID 43844934) is 1-(3,4-dichlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione is O=C1CC(Nc2ccccc2F)C(=O)N1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione?
The InChIKey is YLPBFDAVZXKHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2FN2O2/c17-10-6-5-9(7-11(10)18)21-15(22)8-14(16(21)23)20-13-4-2-1-3-12(13)19/h1-7,14,20H,8H2.
What are the key properties of 1-(3,4-dichlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione?
1-(3,4-dichlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione has a molecular weight of 353.18 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(2-fluoroanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 43844934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).