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

C22H16FNO3 — CID 141372281

IUPAC1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)indole-2,3-dione
SMILESCOc1ccc(-c2ccc3c(c2)C(=O)C(=O)N3Cc2ccc(F)cc2)cc1
InChIInChI=1S/C22H16FNO3/c1-27-18-9-4-15(5-10-18)16-6-11-20-19(12-16)21(25)22(26)24(20)13-14-2-7-17(23)8-3-14/h2-12H,13H2,1H3
InChIKeyGKMJBDQFGBGAHD-UHFFFAOYSA-N
MW361.37 g/mol
LogP4.23
Rot. Bonds4

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

1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)indole-2,3-dione (PubChem CID 141372281) has the molecular formula C22H16FNO3 and a molecular weight of 361.37 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)indole-2,3-dione.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)indole-2,3-dione
PubChem CID141372281
Molecular FormulaC22H16FNO3
Molecular Weight361.37 g/mol
Exact Mass361.11
IUPAC Name1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)indole-2,3-dione
SMILESCOc1ccc(-c2ccc3c(c2)C(=O)C(=O)N3Cc2ccc(F)cc2)cc1
InChIInChI=1S/C22H16FNO3/c1-27-18-9-4-15(5-10-18)16-6-11-20-19(12-16)21(25)22(26)24(20)13-14-2-7-17(23)8-3-14/h2-12H,13H2,1H3
InChIKeyGKMJBDQFGBGAHD-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 1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)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 1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)indole-2,3-dione?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)indole-2,3-dione (CID 141372281) is 1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)indole-2,3-dione.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)indole-2,3-dione?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)indole-2,3-dione is COc1ccc(-c2ccc3c(c2)C(=O)C(=O)N3Cc2ccc(F)cc2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)indole-2,3-dione?
The InChIKey is GKMJBDQFGBGAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FNO3/c1-27-18-9-4-15(5-10-18)16-6-11-20-19(12-16)21(25)22(26)24(20)13-14-2-7-17(23)8-3-14/h2-12H,13H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)indole-2,3-dione?
1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)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 1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)indole-2,3-dione is sourced from PubChem (CID 141372281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).