1-[(3-bromophenyl)methyl]-4,6-difluoroindole-2,3-dione

C15H8BrF2NO2 — CID 61358318

IUPAC1-[(3-bromophenyl)methyl]-4,6-difluoroindole-2,3-dione
SMILESO=C1C(=O)N(Cc2cccc(Br)c2)c2cc(F)cc(F)c21
InChIInChI=1S/C15H8BrF2NO2/c16-9-3-1-2-8(4-9)7-19-12-6-10(17)5-11(18)13(12)14(20)15(19)21/h1-6H,7H2
InChIKeyMNYLQRMGYVHBHY-UHFFFAOYSA-N
MW352.13 g/mol
LogP3.46
Rot. Bonds2

About 1-[(3-bromophenyl)methyl]-4,6-difluoroindole-2,3-dione

1-[(3-bromophenyl)methyl]-4,6-difluoroindole-2,3-dione (PubChem CID 61358318) has the molecular formula C15H8BrF2NO2 and a molecular weight of 352.13 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-4,6-difluoroindole-2,3-dione.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-4,6-difluoroindole-2,3-dione
PubChem CID61358318
Molecular FormulaC15H8BrF2NO2
Molecular Weight352.13 g/mol
Exact Mass350.97
IUPAC Name1-[(3-bromophenyl)methyl]-4,6-difluoroindole-2,3-dione
SMILESO=C1C(=O)N(Cc2cccc(Br)c2)c2cc(F)cc(F)c21
InChIInChI=1S/C15H8BrF2NO2/c16-9-3-1-2-8(4-9)7-19-12-6-10(17)5-11(18)13(12)14(20)15(19)21/h1-6H,7H2
InChIKeyMNYLQRMGYVHBHY-UHFFFAOYSA-N
XLogP3.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.13
LogP ≤ 53.46
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-[(3-bromophenyl)methyl]-4,6-dimethylindole-2,3-dione
CID 61354961
2-[(3-bromophenyl)methyl]-5,6-difluoroisoindole-1,3-dione
CID 60774167
1-[(3-bromophenyl)methyl]-6-chloroindole-2,3-dione
CID 61355930
1-[(3-bromophenyl)methyl]pyrrole-2,5-dione
CID 60976377
1-benzyl-4-fluoroindole-2,3-dione
CID 73294017
1-[(1-ethylpyrazol-4-yl)methyl]-4,6-difluoroindole-2,3-dione
CID 62126742
1-[(3-bromophenyl)methyl]benzo[cd]indol-2-one
CID 63459019
4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]indole-2,3-dione
CID 28518225
1-[(3-bromophenyl)methyl]imidazolidine-2,4,5-trione
CID 61410415
1-butyl-4,6-difluoroindole-2,3-dione
CID 61357345
4-chloro-1-[(3-chloro-4-fluorophenyl)methyl]indole-2,3-dione
CID 103038332
7-bromo-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2,3-dione
CID 61355779

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-4,6-difluoroindole-2,3-dione?
The IUPAC name of 1-[(3-bromophenyl)methyl]-4,6-difluoroindole-2,3-dione (CID 61358318) is 1-[(3-bromophenyl)methyl]-4,6-difluoroindole-2,3-dione.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-4,6-difluoroindole-2,3-dione?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-4,6-difluoroindole-2,3-dione is O=C1C(=O)N(Cc2cccc(Br)c2)c2cc(F)cc(F)c21.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-4,6-difluoroindole-2,3-dione?
The InChIKey is MNYLQRMGYVHBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrF2NO2/c16-9-3-1-2-8(4-9)7-19-12-6-10(17)5-11(18)13(12)14(20)15(19)21/h1-6H,7H2.
What are the key properties of 1-[(3-bromophenyl)methyl]-4,6-difluoroindole-2,3-dione?
1-[(3-bromophenyl)methyl]-4,6-difluoroindole-2,3-dione has a molecular weight of 352.13 g/mol, XLogP of 3.46, 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]-4,6-difluoroindole-2,3-dione is sourced from PubChem (CID 61358318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).