6-bromo-1-[(2-chlorophenyl)methyl]indole-2,3-dione

C15H9BrClNO2 — CID 29272245

IUPAC6-bromo-1-[(2-chlorophenyl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccccc2Cl)c2cc(Br)ccc21
InChIInChI=1S/C15H9BrClNO2/c16-10-5-6-11-13(7-10)18(15(20)14(11)19)8-9-3-1-2-4-12(9)17/h1-7H,8H2
InChIKeyCPWQMRJAAYZDCS-UHFFFAOYSA-N
MW350.60 g/mol
LogP3.83
Rot. Bonds2

About 6-bromo-1-[(2-chlorophenyl)methyl]indole-2,3-dione

6-bromo-1-[(2-chlorophenyl)methyl]indole-2,3-dione (PubChem CID 29272245) has the molecular formula C15H9BrClNO2 and a molecular weight of 350.60 g/mol. Its IUPAC name is 6-bromo-1-[(2-chlorophenyl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name6-bromo-1-[(2-chlorophenyl)methyl]indole-2,3-dione
PubChem CID29272245
Molecular FormulaC15H9BrClNO2
Molecular Weight350.60 g/mol
Exact Mass348.95
IUPAC Name6-bromo-1-[(2-chlorophenyl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccccc2Cl)c2cc(Br)ccc21
InChIInChI=1S/C15H9BrClNO2/c16-10-5-6-11-13(7-10)18(15(20)14(11)19)8-9-3-1-2-4-12(9)17/h1-7H,8H2
InChIKeyCPWQMRJAAYZDCS-UHFFFAOYSA-N
XLogP3.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.60
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-chlorophenyl)methyl]-6-methoxyindole-2,3-dione
CID 61356917
6-bromo-1-[(2-methoxyphenyl)methyl]indole-2,3-dione
CID 60711521
7-bromo-1-[(2-chlorophenyl)methyl]indole-2,3-dione
CID 60711867
1-[(4-bromo-2-fluorophenyl)methyl]-6-chloroindole-2,3-dione
CID 61356419
5-chloro-6-fluoro-1-[(2-fluorophenyl)methyl]indole-2,3-dione
CID 79342057
1-[(3-bromophenyl)methyl]-6-chloroindole-2,3-dione
CID 61355930
1-[[3-chloro-4-[(2,3-dioxoindol-1-yl)methyl]phenyl]methyl]indole-2,3-dione
CID 3745546
1-[(2-chlorophenyl)methyl]-4,6-dimethylindole-2,3-dione
CID 61354793
6-bromo-1-(3-phenylprop-2-ynyl)indole-2,3-dione
CID 62339867
5-bromo-1-[(2,3-difluorophenyl)methyl]indole-2,3-dione
CID 43658958
6-bromo-1-but-2-ynylindole-2,3-dione
CID 62309363
3-chloro-4-[(2,3-dioxoindol-1-yl)methyl]benzonitrile
CID 102668644

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[(2-chlorophenyl)methyl]indole-2,3-dione?
The IUPAC name of 6-bromo-1-[(2-chlorophenyl)methyl]indole-2,3-dione (CID 29272245) is 6-bromo-1-[(2-chlorophenyl)methyl]indole-2,3-dione.
What is the SMILES notation for 6-bromo-1-[(2-chlorophenyl)methyl]indole-2,3-dione?
The canonical SMILES for 6-bromo-1-[(2-chlorophenyl)methyl]indole-2,3-dione is O=C1C(=O)N(Cc2ccccc2Cl)c2cc(Br)ccc21.
What is the InChIKey of 6-bromo-1-[(2-chlorophenyl)methyl]indole-2,3-dione?
The InChIKey is CPWQMRJAAYZDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClNO2/c16-10-5-6-11-13(7-10)18(15(20)14(11)19)8-9-3-1-2-4-12(9)17/h1-7H,8H2.
What are the key properties of 6-bromo-1-[(2-chlorophenyl)methyl]indole-2,3-dione?
6-bromo-1-[(2-chlorophenyl)methyl]indole-2,3-dione has a molecular weight of 350.60 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[(2-chlorophenyl)methyl]indole-2,3-dione is sourced from PubChem (CID 29272245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).