5-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione

C22H16FNO3 — CID 141372276

IUPAC5-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione
SMILESCOc1ccc(CN2C(=O)C(=O)c3cc(-c4ccc(F)cc4)ccc32)cc1
InChIInChI=1S/C22H16FNO3/c1-27-18-9-2-14(3-10-18)13-24-20-11-6-16(12-19(20)21(25)22(24)26)15-4-7-17(23)8-5-15/h2-12H,13H2,1H3
InChIKeyZSGUMYRXGYJRFB-UHFFFAOYSA-N
MW361.37 g/mol
LogP4.23
Rot. Bonds4

About 5-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione

5-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione (PubChem CID 141372276) has the molecular formula C22H16FNO3 and a molecular weight of 361.37 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione
PubChem CID141372276
Molecular FormulaC22H16FNO3
Molecular Weight361.37 g/mol
Exact Mass361.11
IUPAC Name5-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione
SMILESCOc1ccc(CN2C(=O)C(=O)c3cc(-c4ccc(F)cc4)ccc32)cc1
InChIInChI=1S/C22H16FNO3/c1-27-18-9-2-14(3-10-18)13-24-20-11-6-16(12-19(20)21(25)22(24)26)15-4-7-17(23)8-5-15/h2-12H,13H2,1H3
InChIKeyZSGUMYRXGYJRFB-UHFFFAOYSA-N
XLogP4.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-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 5-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione?
The IUPAC name of 5-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione (CID 141372276) is 5-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione.
What is the SMILES notation for 5-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione?
The canonical SMILES for 5-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione is COc1ccc(CN2C(=O)C(=O)c3cc(-c4ccc(F)cc4)ccc32)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione?
The InChIKey is ZSGUMYRXGYJRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FNO3/c1-27-18-9-2-14(3-10-18)13-24-20-11-6-16(12-19(20)21(25)22(24)26)15-4-7-17(23)8-5-15/h2-12H,13H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione?
5-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione has a molecular weight of 361.37 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]indole-2,3-dione is sourced from PubChem (CID 141372276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).