7-bromo-1-[(2-bromophenyl)methyl]-5-fluoroindole-2,3-dione

C15H8Br2FNO2 — CID 61356769

IUPAC7-bromo-1-[(2-bromophenyl)methyl]-5-fluoroindole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccccc2Br)c2c(Br)cc(F)cc21
InChIInChI=1S/C15H8Br2FNO2/c16-11-4-2-1-3-8(11)7-19-13-10(14(20)15(19)21)5-9(18)6-12(13)17/h1-6H,7H2
InChIKeyLSMMQRSDYVNJCS-UHFFFAOYSA-N
MW413.04 g/mol
LogP4.08
Rot. Bonds2

About 7-bromo-1-[(2-bromophenyl)methyl]-5-fluoroindole-2,3-dione

7-bromo-1-[(2-bromophenyl)methyl]-5-fluoroindole-2,3-dione (PubChem CID 61356769) has the molecular formula C15H8Br2FNO2 and a molecular weight of 413.04 g/mol. Its IUPAC name is 7-bromo-1-[(2-bromophenyl)methyl]-5-fluoroindole-2,3-dione.

Molecular Properties

Compound Name7-bromo-1-[(2-bromophenyl)methyl]-5-fluoroindole-2,3-dione
PubChem CID61356769
Molecular FormulaC15H8Br2FNO2
Molecular Weight413.04 g/mol
Exact Mass410.89
IUPAC Name7-bromo-1-[(2-bromophenyl)methyl]-5-fluoroindole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccccc2Br)c2c(Br)cc(F)cc21
InChIInChI=1S/C15H8Br2FNO2/c16-11-4-2-1-3-8(11)7-19-13-10(14(20)15(19)21)5-9(18)6-12(13)17/h1-6H,7H2
InChIKeyLSMMQRSDYVNJCS-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 7-bromo-1-[(2-bromophenyl)methyl]-5-fluoroindole-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 7-bromo-1-[(2-bromophenyl)methyl]-5-fluoroindole-2,3-dione?
The IUPAC name of 7-bromo-1-[(2-bromophenyl)methyl]-5-fluoroindole-2,3-dione (CID 61356769) is 7-bromo-1-[(2-bromophenyl)methyl]-5-fluoroindole-2,3-dione.
What is the SMILES notation for 7-bromo-1-[(2-bromophenyl)methyl]-5-fluoroindole-2,3-dione?
The canonical SMILES for 7-bromo-1-[(2-bromophenyl)methyl]-5-fluoroindole-2,3-dione is O=C1C(=O)N(Cc2ccccc2Br)c2c(Br)cc(F)cc21.
What is the InChIKey of 7-bromo-1-[(2-bromophenyl)methyl]-5-fluoroindole-2,3-dione?
The InChIKey is LSMMQRSDYVNJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Br2FNO2/c16-11-4-2-1-3-8(11)7-19-13-10(14(20)15(19)21)5-9(18)6-12(13)17/h1-6H,7H2.
What are the key properties of 7-bromo-1-[(2-bromophenyl)methyl]-5-fluoroindole-2,3-dione?
7-bromo-1-[(2-bromophenyl)methyl]-5-fluoroindole-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 7-bromo-1-[(2-bromophenyl)methyl]-5-fluoroindole-2,3-dione is sourced from PubChem (CID 61356769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).