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

C15H9ClFNO2 — CID 7678068

IUPAC5-chloro-1-[(2-fluorophenyl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccccc2F)c2ccc(Cl)cc21
InChIInChI=1S/C15H9ClFNO2/c16-10-5-6-13-11(7-10)14(19)15(20)18(13)8-9-3-1-2-4-12(9)17/h1-7H,8H2
InChIKeySTDYODSSQZYDCV-UHFFFAOYSA-N
MW289.69 g/mol
LogP3.21
Rot. Bonds2

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

5-chloro-1-[(2-fluorophenyl)methyl]indole-2,3-dione (PubChem CID 7678068) has the molecular formula C15H9ClFNO2 and a molecular weight of 289.69 g/mol. Its IUPAC name is 5-chloro-1-[(2-fluorophenyl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-chloro-1-[(2-fluorophenyl)methyl]indole-2,3-dione
PubChem CID7678068
Molecular FormulaC15H9ClFNO2
Molecular Weight289.69 g/mol
Exact Mass289.03
IUPAC Name5-chloro-1-[(2-fluorophenyl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccccc2F)c2ccc(Cl)cc21
InChIInChI=1S/C15H9ClFNO2/c16-10-5-6-13-11(7-10)14(19)15(20)18(13)8-9-3-1-2-4-12(9)17/h1-7H,8H2
InChIKeySTDYODSSQZYDCV-UHFFFAOYSA-N
XLogP3.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.69
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-chloro-1-[(2-fluorophenyl)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

Related Compounds

1-Phenylisatin
CID 12884
1-(4-Chlorobenzyl)-1H-indole-2,3-dione
CID 277990
1-Benzylisatin
CID 264734
5-chloro-1H-indole-2,3-dione
CID 87203
1-Phenethylindoline-2,3-dione
CID 1894707
1-(3,4-dichlorobenzyl)-1H-indole-2,3-dione
CID 1901244
1-((E)-3-phenylprop-2-enyl)indole-2,3-dione
CID 2057118
Acetamide, 2-(acetylamino)-N-(2-benzoyl-4-chlorophenyl)-
CID 200017
1-Allylisatin
CID 1713563
1-(propan-2-yl)-2,3-dihydro-1H-indole-2,3-dione
CID 2055049
N-(2-Benzoyl-4-chlorophenyl)-N-methylglycinamide
CID 12746775
5-fluoro-1-(2-phenylethyl)-1H-indole-2,3-dione
CID 7678107

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2-fluorophenyl)methyl]indole-2,3-dione?
The IUPAC name of 5-chloro-1-[(2-fluorophenyl)methyl]indole-2,3-dione (CID 7678068) is 5-chloro-1-[(2-fluorophenyl)methyl]indole-2,3-dione.
What is the SMILES notation for 5-chloro-1-[(2-fluorophenyl)methyl]indole-2,3-dione?
The canonical SMILES for 5-chloro-1-[(2-fluorophenyl)methyl]indole-2,3-dione is O=C1C(=O)N(Cc2ccccc2F)c2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-1-[(2-fluorophenyl)methyl]indole-2,3-dione?
The InChIKey is STDYODSSQZYDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFNO2/c16-10-5-6-13-11(7-10)14(19)15(20)18(13)8-9-3-1-2-4-12(9)17/h1-7H,8H2.
What are the key properties of 5-chloro-1-[(2-fluorophenyl)methyl]indole-2,3-dione?
5-chloro-1-[(2-fluorophenyl)methyl]indole-2,3-dione has a molecular weight of 289.69 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(2-fluorophenyl)methyl]indole-2,3-dione is sourced from PubChem (CID 7678068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).