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

C15H8BrCl2NO2 — CID 65317495

IUPAC7-bromo-1-[(2,5-dichlorophenyl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2cc(Cl)ccc2Cl)c2c(Br)cccc21
InChIInChI=1S/C15H8BrCl2NO2/c16-11-3-1-2-10-13(11)19(15(21)14(10)20)7-8-6-9(17)4-5-12(8)18/h1-6H,7H2
InChIKeyVIIAPQBLRWKWGM-UHFFFAOYSA-N
MW385.04 g/mol
LogP4.49
Rot. Bonds2

About 7-bromo-1-[(2,5-dichlorophenyl)methyl]indole-2,3-dione

7-bromo-1-[(2,5-dichlorophenyl)methyl]indole-2,3-dione (PubChem CID 65317495) has the molecular formula C15H8BrCl2NO2 and a molecular weight of 385.04 g/mol. Its IUPAC name is 7-bromo-1-[(2,5-dichlorophenyl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name7-bromo-1-[(2,5-dichlorophenyl)methyl]indole-2,3-dione
PubChem CID65317495
Molecular FormulaC15H8BrCl2NO2
Molecular Weight385.04 g/mol
Exact Mass382.91
IUPAC Name7-bromo-1-[(2,5-dichlorophenyl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2cc(Cl)ccc2Cl)c2c(Br)cccc21
InChIInChI=1S/C15H8BrCl2NO2/c16-11-3-1-2-10-13(11)19(15(21)14(10)20)7-8-6-9(17)4-5-12(8)18/h1-6H,7H2
InChIKeyVIIAPQBLRWKWGM-UHFFFAOYSA-N
XLogP4.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.04
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-[(2,5-dichlorophenyl)methyl]indole-2,3-dione?
The IUPAC name of 7-bromo-1-[(2,5-dichlorophenyl)methyl]indole-2,3-dione (CID 65317495) is 7-bromo-1-[(2,5-dichlorophenyl)methyl]indole-2,3-dione.
What is the SMILES notation for 7-bromo-1-[(2,5-dichlorophenyl)methyl]indole-2,3-dione?
The canonical SMILES for 7-bromo-1-[(2,5-dichlorophenyl)methyl]indole-2,3-dione is O=C1C(=O)N(Cc2cc(Cl)ccc2Cl)c2c(Br)cccc21.
What is the InChIKey of 7-bromo-1-[(2,5-dichlorophenyl)methyl]indole-2,3-dione?
The InChIKey is VIIAPQBLRWKWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrCl2NO2/c16-11-3-1-2-10-13(11)19(15(21)14(10)20)7-8-6-9(17)4-5-12(8)18/h1-6H,7H2.
What are the key properties of 7-bromo-1-[(2,5-dichlorophenyl)methyl]indole-2,3-dione?
7-bromo-1-[(2,5-dichlorophenyl)methyl]indole-2,3-dione has a molecular weight of 385.04 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-[(2,5-dichlorophenyl)methyl]indole-2,3-dione is sourced from PubChem (CID 65317495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).