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

C15H8BrF2NO2 — CID 61355779

IUPAC7-bromo-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2cccc(F)c2)c2c(Br)cc(F)cc21
InChIInChI=1S/C15H8BrF2NO2/c16-12-6-10(18)5-11-13(12)19(15(21)14(11)20)7-8-2-1-3-9(17)4-8/h1-6H,7H2
InChIKeyGNUVLTSOELOVFU-UHFFFAOYSA-N
MW352.13 g/mol
LogP3.46
Rot. Bonds2

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

7-bromo-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2,3-dione (PubChem CID 61355779) has the molecular formula C15H8BrF2NO2 and a molecular weight of 352.13 g/mol. Its IUPAC name is 7-bromo-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name7-bromo-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2,3-dione
PubChem CID61355779
Molecular FormulaC15H8BrF2NO2
Molecular Weight352.13 g/mol
Exact Mass350.97
IUPAC Name7-bromo-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2cccc(F)c2)c2c(Br)cc(F)cc21
InChIInChI=1S/C15H8BrF2NO2/c16-12-6-10(18)5-11-13(12)19(15(21)14(11)20)7-8-2-1-3-9(17)4-8/h1-6H,7H2
InChIKeyGNUVLTSOELOVFU-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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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2,3-dione?
The IUPAC name of 7-bromo-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2,3-dione (CID 61355779) is 7-bromo-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2,3-dione.
What is the SMILES notation for 7-bromo-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2,3-dione?
The canonical SMILES for 7-bromo-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2,3-dione is O=C1C(=O)N(Cc2cccc(F)c2)c2c(Br)cc(F)cc21.
What is the InChIKey of 7-bromo-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2,3-dione?
The InChIKey is GNUVLTSOELOVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrF2NO2/c16-12-6-10(18)5-11-13(12)19(15(21)14(11)20)7-8-2-1-3-9(17)4-8/h1-6H,7H2.
What are the key properties of 7-bromo-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2,3-dione?
7-bromo-5-fluoro-1-[(3-fluorophenyl)methyl]indole-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 7-bromo-5-fluoro-1-[(3-fluorophenyl)methyl]indole-2,3-dione is sourced from PubChem (CID 61355779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).