1-[(3-bromophenyl)methyl]-6-chloroindole-2,3-dione

C15H9BrClNO2 — CID 61355930

IUPAC1-[(3-bromophenyl)methyl]-6-chloroindole-2,3-dione
SMILESO=C1C(=O)N(Cc2cccc(Br)c2)c2cc(Cl)ccc21
InChIInChI=1S/C15H9BrClNO2/c16-10-3-1-2-9(6-10)8-18-13-7-11(17)4-5-12(13)14(19)15(18)20/h1-7H,8H2
InChIKeyXSEBKCUVJTYNQU-UHFFFAOYSA-N
MW350.60 g/mol
LogP3.83
Rot. Bonds2

About 1-[(3-bromophenyl)methyl]-6-chloroindole-2,3-dione

1-[(3-bromophenyl)methyl]-6-chloroindole-2,3-dione (PubChem CID 61355930) has the molecular formula C15H9BrClNO2 and a molecular weight of 350.60 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-6-chloroindole-2,3-dione.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-6-chloroindole-2,3-dione
PubChem CID61355930
Molecular FormulaC15H9BrClNO2
Molecular Weight350.60 g/mol
Exact Mass348.95
IUPAC Name1-[(3-bromophenyl)methyl]-6-chloroindole-2,3-dione
SMILESO=C1C(=O)N(Cc2cccc(Br)c2)c2cc(Cl)ccc21
InChIInChI=1S/C15H9BrClNO2/c16-10-3-1-2-9(6-10)8-18-13-7-11(17)4-5-12(13)14(19)15(18)20/h1-7H,8H2
InChIKeyXSEBKCUVJTYNQU-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

6-chloro-1-[(3-chlorophenyl)methyl]indole-2,3-dione
CID 61356762
1-[(4-bromo-2-fluorophenyl)methyl]-6-chloroindole-2,3-dione
CID 61356419
6-chloro-1-[(4-fluorophenyl)methyl]indole-2,3-dione
CID 61356251
1-[(3-bromophenyl)methyl]pyrrole-2,5-dione
CID 60976377
1-[(3-bromophenyl)methyl]-4,6-difluoroindole-2,3-dione
CID 61358318
5-chloro-1-[[4-[(5-chloro-2,3-dioxoindol-1-yl)methyl]phenyl]methyl]indole-2,3-dione
CID 139227622
6-bromo-1-[(2-chlorophenyl)methyl]indole-2,3-dione
CID 29272245
2-[(3-bromophenyl)methyl]-5,6-difluoroisoindole-1,3-dione
CID 60774167
1-[(3-bromophenyl)methyl]-4,6-dimethylindole-2,3-dione
CID 61354961
1-[(3-bromophenyl)methyl]benzo[cd]indol-2-one
CID 63459019
5-bromo-1-[(4-chloro-3-fluorophenyl)methyl]indole-2,3-dione
CID 107882127
1-benzyl-6-(trifluoromethyl)indole-2,3-dione
CID 141454622

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-6-chloroindole-2,3-dione?
The IUPAC name of 1-[(3-bromophenyl)methyl]-6-chloroindole-2,3-dione (CID 61355930) is 1-[(3-bromophenyl)methyl]-6-chloroindole-2,3-dione.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-6-chloroindole-2,3-dione?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-6-chloroindole-2,3-dione is O=C1C(=O)N(Cc2cccc(Br)c2)c2cc(Cl)ccc21.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-6-chloroindole-2,3-dione?
The InChIKey is XSEBKCUVJTYNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClNO2/c16-10-3-1-2-9(6-10)8-18-13-7-11(17)4-5-12(13)14(19)15(18)20/h1-7H,8H2.
What are the key properties of 1-[(3-bromophenyl)methyl]-6-chloroindole-2,3-dione?
1-[(3-bromophenyl)methyl]-6-chloroindole-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 1-[(3-bromophenyl)methyl]-6-chloroindole-2,3-dione is sourced from PubChem (CID 61355930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).