1-(4-fluorophenyl)-3-(N-hydroxy-2-methoxyanilino)pyrrolidine-2,5-dione

C17H15FN2O4 — CID 662161

IUPAC1-(4-fluorophenyl)-3-(N-hydroxy-2-methoxyanilino)pyrrolidine-2,5-dione
SMILESCOc1ccccc1N(O)C1CC(=O)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C17H15FN2O4/c1-24-15-5-3-2-4-13(15)20(23)14-10-16(21)19(17(14)22)12-8-6-11(18)7-9-12/h2-9,14,23H,10H2,1H3
InChIKeyATRRHNVBCIXOJN-UHFFFAOYSA-N
MW330.32 g/mol
LogP2.36
Rot. Bonds4

About 1-(4-fluorophenyl)-3-(N-hydroxy-2-methoxyanilino)pyrrolidine-2,5-dione

1-(4-fluorophenyl)-3-(N-hydroxy-2-methoxyanilino)pyrrolidine-2,5-dione (PubChem CID 662161) has the molecular formula C17H15FN2O4 and a molecular weight of 330.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(N-hydroxy-2-methoxyanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(N-hydroxy-2-methoxyanilino)pyrrolidine-2,5-dione
PubChem CID662161
Molecular FormulaC17H15FN2O4
Molecular Weight330.32 g/mol
Exact Mass330.10
IUPAC Name1-(4-fluorophenyl)-3-(N-hydroxy-2-methoxyanilino)pyrrolidine-2,5-dione
SMILESCOc1ccccc1N(O)C1CC(=O)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C17H15FN2O4/c1-24-15-5-3-2-4-13(15)20(23)14-10-16(21)19(17(14)22)12-8-6-11(18)7-9-12/h2-9,14,23H,10H2,1H3
InChIKeyATRRHNVBCIXOJN-UHFFFAOYSA-N
XLogP2.36
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(4-fluorophenyl)-3-(N-hydroxy-2-methoxyanilino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-fluorophenyl)-3-(N-hydroxy-2-methoxyanilino)pyrrolidine-2,5-dione (CID 662161) is 1-(4-fluorophenyl)-3-(N-hydroxy-2-methoxyanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(N-hydroxy-2-methoxyanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-fluorophenyl)-3-(N-hydroxy-2-methoxyanilino)pyrrolidine-2,5-dione is COc1ccccc1N(O)C1CC(=O)N(c2ccc(F)cc2)C1=O.
What is the InChIKey of 1-(4-fluorophenyl)-3-(N-hydroxy-2-methoxyanilino)pyrrolidine-2,5-dione?
The InChIKey is ATRRHNVBCIXOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O4/c1-24-15-5-3-2-4-13(15)20(23)14-10-16(21)19(17(14)22)12-8-6-11(18)7-9-12/h2-9,14,23H,10H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-(N-hydroxy-2-methoxyanilino)pyrrolidine-2,5-dione?
1-(4-fluorophenyl)-3-(N-hydroxy-2-methoxyanilino)pyrrolidine-2,5-dione has a molecular weight of 330.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(N-hydroxy-2-methoxyanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 662161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).