1-[(5-bromo-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione

C15H8BrF2NO2 — CID 28549088

IUPAC1-[(5-bromo-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione
SMILESO=C1C(=O)N(Cc2cc(Br)ccc2F)c2ccc(F)cc21
InChIInChI=1S/C15H8BrF2NO2/c16-9-1-3-12(18)8(5-9)7-19-13-4-2-10(17)6-11(13)14(20)15(19)21/h1-6H,7H2
InChIKeyNHWKWADEQOQUSQ-UHFFFAOYSA-N
MW352.13 g/mol
LogP3.46
Rot. Bonds2

About 1-[(5-bromo-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione

1-[(5-bromo-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione (PubChem CID 28549088) has the molecular formula C15H8BrF2NO2 and a molecular weight of 352.13 g/mol. Its IUPAC name is 1-[(5-bromo-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione.

Molecular Properties

Compound Name1-[(5-bromo-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione
PubChem CID28549088
Molecular FormulaC15H8BrF2NO2
Molecular Weight352.13 g/mol
Exact Mass350.97
IUPAC Name1-[(5-bromo-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione
SMILESO=C1C(=O)N(Cc2cc(Br)ccc2F)c2ccc(F)cc21
InChIInChI=1S/C15H8BrF2NO2/c16-9-1-3-12(18)8(5-9)7-19-13-4-2-10(17)6-11(13)14(20)15(19)21/h1-6H,7H2
InChIKeyNHWKWADEQOQUSQ-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-[(4-chloro-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione
CID 114850024
5-bromo-1-[(2,3-difluorophenyl)methyl]indole-2,3-dione
CID 43658958
4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]indole-2,3-dione
CID 28518225
1-[(4-bromo-2-fluorophenyl)methyl]-6-chloroindole-2,3-dione
CID 61356419
5-bromo-1-[(4-chloro-3-fluorophenyl)methyl]indole-2,3-dione
CID 107882127
5-bromo-1-[(2,5-dimethylphenyl)methyl]indole-2,3-dione
CID 3591808
5-bromo-1-[(4-chloroanilino)methyl]indole-2,3-dione
CID 19166921
5-bromo-1-[[1-[(2-fluoro-5-methoxyphenyl)methyl]triazol-4-yl]methyl]indole-2,3-dione
CID 138984635
5-bromo-1-[(2-ethoxyphenyl)methyl]indole-2,3-dione
CID 18823261
potassium trifluoro-[(5-fluoro-2,3-dioxoindol-1-yl)methyl]boranuide
CID 63705187
5-fluoro-1-(2-hydroxyethyl)indole-2,3-dione
CID 14624170
1-[(2-chloro-5-fluorophenyl)methyl]-5-methylindole-2,3-dione
CID 102616446

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione?
The IUPAC name of 1-[(5-bromo-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione (CID 28549088) is 1-[(5-bromo-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione.
What is the SMILES notation for 1-[(5-bromo-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione?
The canonical SMILES for 1-[(5-bromo-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione is O=C1C(=O)N(Cc2cc(Br)ccc2F)c2ccc(F)cc21.
What is the InChIKey of 1-[(5-bromo-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione?
The InChIKey is NHWKWADEQOQUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrF2NO2/c16-9-1-3-12(18)8(5-9)7-19-13-4-2-10(17)6-11(13)14(20)15(19)21/h1-6H,7H2.
What are the key properties of 1-[(5-bromo-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione?
1-[(5-bromo-2-fluorophenyl)methyl]-5-fluoroindole-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-[(5-bromo-2-fluorophenyl)methyl]-5-fluoroindole-2,3-dione is sourced from PubChem (CID 28549088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).