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

C15H8Br2FNO2 — CID 28518225

IUPAC4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2cc(Br)ccc2F)c2cccc(Br)c21
InChIInChI=1S/C15H8Br2FNO2/c16-9-4-5-11(18)8(6-9)7-19-12-3-1-2-10(17)13(12)14(20)15(19)21/h1-6H,7H2
InChIKeyYZQHWWPKSXCOAN-UHFFFAOYSA-N
MW413.04 g/mol
LogP4.08
Rot. Bonds2

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

4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]indole-2,3-dione (PubChem CID 28518225) has the molecular formula C15H8Br2FNO2 and a molecular weight of 413.04 g/mol. Its IUPAC name is 4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]indole-2,3-dione
PubChem CID28518225
Molecular FormulaC15H8Br2FNO2
Molecular Weight413.04 g/mol
Exact Mass410.89
IUPAC Name4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2cc(Br)ccc2F)c2cccc(Br)c21
InChIInChI=1S/C15H8Br2FNO2/c16-9-4-5-11(18)8(6-9)7-19-12-3-1-2-10(17)13(12)14(20)15(19)21/h1-6H,7H2
InChIKeyYZQHWWPKSXCOAN-UHFFFAOYSA-N
XLogP4.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.04
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-bromo-1-[(5-bromo-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-[(5-bromo-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione
CID 28549088
3-amino-4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]-3H-indol-2-one
CID 43255213
5-bromo-1-[(2,3-difluorophenyl)methyl]indole-2,3-dione
CID 43658958
2-(4-bromo-2,3-dioxoindol-1-yl)acetic acid
CID 16777655
1-[(5-bromo-2-fluorophenyl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione
CID 60593622
1-[(3-bromophenyl)methyl]-4,6-difluoroindole-2,3-dione
CID 61358318
1-[(5-bromo-2-fluorophenyl)methyl]piperazine-2,6-dione
CID 66063422
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-(2-methylsulfonylethyl)indole-2,3-dione
CID 54937122
4-bromo-1-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]indole-2,3-dione
CID 55464560
1-benzyl-4-fluoroindole-2,3-dione
CID 73294017

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]indole-2,3-dione?
The IUPAC name of 4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]indole-2,3-dione (CID 28518225) is 4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]indole-2,3-dione.
What is the SMILES notation for 4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]indole-2,3-dione?
The canonical SMILES for 4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]indole-2,3-dione is O=C1C(=O)N(Cc2cc(Br)ccc2F)c2cccc(Br)c21.
What is the InChIKey of 4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]indole-2,3-dione?
The InChIKey is YZQHWWPKSXCOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Br2FNO2/c16-9-4-5-11(18)8(6-9)7-19-12-3-1-2-10(17)13(12)14(20)15(19)21/h1-6H,7H2.
What are the key properties of 4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]indole-2,3-dione?
4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]indole-2,3-dione has a molecular weight of 413.04 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]indole-2,3-dione is sourced from PubChem (CID 28518225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).