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

C16H12Cl2N2O3 — CID 3797035

IUPAC1-(3,4-dichlorophenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
SMILESO=C1CC(N(O)c2ccccc2)C(=O)N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H12Cl2N2O3/c17-12-7-6-11(8-13(12)18)19-15(21)9-14(16(19)22)20(23)10-4-2-1-3-5-10/h1-8,14,23H,9H2
InChIKeyPOGWPEBLHVDLIE-UHFFFAOYSA-N
MW351.19 g/mol
LogP3.52
Rot. Bonds3

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

1-(3,4-dichlorophenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione (PubChem CID 3797035) has the molecular formula C16H12Cl2N2O3 and a molecular weight of 351.19 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
PubChem CID3797035
Molecular FormulaC16H12Cl2N2O3
Molecular Weight351.19 g/mol
Exact Mass350.02
IUPAC Name1-(3,4-dichlorophenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
SMILESO=C1CC(N(O)c2ccccc2)C(=O)N1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H12Cl2N2O3/c17-12-7-6-11(8-13(12)18)19-15(21)9-14(16(19)22)20(23)10-4-2-1-3-5-10/h1-8,14,23H,9H2
InChIKeyPOGWPEBLHVDLIE-UHFFFAOYSA-N
XLogP3.52
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione (CID 3797035) is 1-(3,4-dichlorophenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione is O=C1CC(N(O)c2ccccc2)C(=O)N1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione?
The InChIKey is POGWPEBLHVDLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O3/c17-12-7-6-11(8-13(12)18)19-15(21)9-14(16(19)22)20(23)10-4-2-1-3-5-10/h1-8,14,23H,9H2.
What are the key properties of 1-(3,4-dichlorophenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione?
1-(3,4-dichlorophenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione has a molecular weight of 351.19 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 3797035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).