(3S)-1-(4-fluorophenyl)-3-[(3S)-2-oxo-3-phenyl-1-benzofuran-3-yl]pyrrolidine-2,5-dione

C24H16FNO4 — CID 50915739

IUPAC(3S)-1-(4-fluorophenyl)-3-[(3S)-2-oxo-3-phenyl-1-benzofuran-3-yl]pyrrolidine-2,5-dione
SMILESO=C1C[C@@H]([C@@]2(c3ccccc3)C(=O)Oc3ccccc32)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C24H16FNO4/c25-16-10-12-17(13-11-16)26-21(27)14-19(22(26)28)24(15-6-2-1-3-7-15)18-8-4-5-9-20(18)30-23(24)29/h1-13,19H,14H2/t19-,24+/m1/s1
InChIKeyJGDXBCBXAZGFQN-DVECYGJZSA-N
MW401.39 g/mol
LogP3.61
Rot. Bonds3

About (3S)-1-(4-fluorophenyl)-3-[(3S)-2-oxo-3-phenyl-1-benzofuran-3-yl]pyrrolidine-2,5-dione

(3S)-1-(4-fluorophenyl)-3-[(3S)-2-oxo-3-phenyl-1-benzofuran-3-yl]pyrrolidine-2,5-dione (PubChem CID 50915739) has the molecular formula C24H16FNO4 and a molecular weight of 401.39 g/mol. Its IUPAC name is (3S)-1-(4-fluorophenyl)-3-[(3S)-2-oxo-3-phenyl-1-benzofuran-3-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(4-fluorophenyl)-3-[(3S)-2-oxo-3-phenyl-1-benzofuran-3-yl]pyrrolidine-2,5-dione
PubChem CID50915739
Molecular FormulaC24H16FNO4
Molecular Weight401.39 g/mol
Exact Mass401.11
IUPAC Name(3S)-1-(4-fluorophenyl)-3-[(3S)-2-oxo-3-phenyl-1-benzofuran-3-yl]pyrrolidine-2,5-dione
SMILESO=C1C[C@@H]([C@@]2(c3ccccc3)C(=O)Oc3ccccc32)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C24H16FNO4/c25-16-10-12-17(13-11-16)26-21(27)14-19(22(26)28)24(15-6-2-1-3-7-15)18-8-4-5-9-20(18)30-23(24)29/h1-13,19H,14H2/t19-,24+/m1/s1
InChIKeyJGDXBCBXAZGFQN-DVECYGJZSA-N
XLogP3.61
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (3S)-1-(4-fluorophenyl)-3-[(3S)-2-oxo-3-phenyl-1-benzofuran-3-yl]pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-fluorophenyl)-3-[(3S)-2-oxo-3-phenyl-1-benzofuran-3-yl]pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(4-fluorophenyl)-3-[(3S)-2-oxo-3-phenyl-1-benzofuran-3-yl]pyrrolidine-2,5-dione (CID 50915739) is (3S)-1-(4-fluorophenyl)-3-[(3S)-2-oxo-3-phenyl-1-benzofuran-3-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(4-fluorophenyl)-3-[(3S)-2-oxo-3-phenyl-1-benzofuran-3-yl]pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(4-fluorophenyl)-3-[(3S)-2-oxo-3-phenyl-1-benzofuran-3-yl]pyrrolidine-2,5-dione is O=C1C[C@@H]([C@@]2(c3ccccc3)C(=O)Oc3ccccc32)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of (3S)-1-(4-fluorophenyl)-3-[(3S)-2-oxo-3-phenyl-1-benzofuran-3-yl]pyrrolidine-2,5-dione?
The InChIKey is JGDXBCBXAZGFQN-DVECYGJZSA-N. The full InChI is InChI=1S/C24H16FNO4/c25-16-10-12-17(13-11-16)26-21(27)14-19(22(26)28)24(15-6-2-1-3-7-15)18-8-4-5-9-20(18)30-23(24)29/h1-13,19H,14H2/t19-,24+/m1/s1.
What are the key properties of (3S)-1-(4-fluorophenyl)-3-[(3S)-2-oxo-3-phenyl-1-benzofuran-3-yl]pyrrolidine-2,5-dione?
(3S)-1-(4-fluorophenyl)-3-[(3S)-2-oxo-3-phenyl-1-benzofuran-3-yl]pyrrolidine-2,5-dione has a molecular weight of 401.39 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-fluorophenyl)-3-[(3S)-2-oxo-3-phenyl-1-benzofuran-3-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 50915739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).