5-bromo-1-[(2,3-difluorophenyl)methyl]indole-2,3-dione

C15H8BrF2NO2 — CID 43658958

IUPAC5-bromo-1-[(2,3-difluorophenyl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2cccc(F)c2F)c2ccc(Br)cc21
InChIInChI=1S/C15H8BrF2NO2/c16-9-4-5-12-10(6-9)14(20)15(21)19(12)7-8-2-1-3-11(17)13(8)18/h1-6H,7H2
InChIKeyCUWOOPKAJMCJFX-UHFFFAOYSA-N
MW352.13 g/mol
LogP3.46
Rot. Bonds2

About 5-bromo-1-[(2,3-difluorophenyl)methyl]indole-2,3-dione

5-bromo-1-[(2,3-difluorophenyl)methyl]indole-2,3-dione (PubChem CID 43658958) has the molecular formula C15H8BrF2NO2 and a molecular weight of 352.13 g/mol. Its IUPAC name is 5-bromo-1-[(2,3-difluorophenyl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-bromo-1-[(2,3-difluorophenyl)methyl]indole-2,3-dione
PubChem CID43658958
Molecular FormulaC15H8BrF2NO2
Molecular Weight352.13 g/mol
Exact Mass350.97
IUPAC Name5-bromo-1-[(2,3-difluorophenyl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2cccc(F)c2F)c2ccc(Br)cc21
InChIInChI=1S/C15H8BrF2NO2/c16-9-4-5-12-10(6-9)14(20)15(21)19(12)7-8-2-1-3-11(17)13(8)18/h1-6H,7H2
InChIKeyCUWOOPKAJMCJFX-UHFFFAOYSA-N
XLogP3.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.13
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-1-[(2,3-difluorophenyl)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-[(5-bromo-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione
CID 28549088
5-bromo-1-[(2-ethoxyphenyl)methyl]indole-2,3-dione
CID 18823261
5-bromo-1-[(4-chloro-3-fluorophenyl)methyl]indole-2,3-dione
CID 107882127
5-bromo-1-[5-(5-bromo-2,3-dioxoindol-1-yl)pentyl]indole-2,3-dione
CID 139227607
5-bromo-1-[(2,5-dimethylphenyl)methyl]indole-2,3-dione
CID 3591808
5-chloro-6-fluoro-1-[(2-fluorophenyl)methyl]indole-2,3-dione
CID 79342057
5-bromo-1-[(4-methylphenyl)methyl]indole-2,3-dione
CID 3598956
2-[(3-amino-2-fluorophenyl)methyl]-5-bromoisoindole-1,3-dione
CID 107347785
5-bromo-1-[(4-chloroanilino)methyl]indole-2,3-dione
CID 19166921
7-bromo-1-[(2-fluorophenyl)methyl]indole-2,3-dione
CID 60711816
1-[(4-bromo-2-fluorophenyl)methyl]-6-chloroindole-2,3-dione
CID 61356419
4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]indole-2,3-dione
CID 28518225

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(2,3-difluorophenyl)methyl]indole-2,3-dione?
The IUPAC name of 5-bromo-1-[(2,3-difluorophenyl)methyl]indole-2,3-dione (CID 43658958) is 5-bromo-1-[(2,3-difluorophenyl)methyl]indole-2,3-dione.
What is the SMILES notation for 5-bromo-1-[(2,3-difluorophenyl)methyl]indole-2,3-dione?
The canonical SMILES for 5-bromo-1-[(2,3-difluorophenyl)methyl]indole-2,3-dione is O=C1C(=O)N(Cc2cccc(F)c2F)c2ccc(Br)cc21.
What is the InChIKey of 5-bromo-1-[(2,3-difluorophenyl)methyl]indole-2,3-dione?
The InChIKey is CUWOOPKAJMCJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrF2NO2/c16-9-4-5-12-10(6-9)14(20)15(21)19(12)7-8-2-1-3-11(17)13(8)18/h1-6H,7H2.
What are the key properties of 5-bromo-1-[(2,3-difluorophenyl)methyl]indole-2,3-dione?
5-bromo-1-[(2,3-difluorophenyl)methyl]indole-2,3-dione has a molecular weight of 352.13 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(2,3-difluorophenyl)methyl]indole-2,3-dione is sourced from PubChem (CID 43658958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).