5-(2-bromo-4-fluorobenzoyl)-1-methyl-3H-indol-2-one

C16H11BrFNO2 — CID 43339447

IUPAC5-(2-bromo-4-fluorobenzoyl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(=O)c3ccc(F)cc3Br)ccc21
InChIInChI=1S/C16H11BrFNO2/c1-19-14-5-2-9(6-10(14)7-15(19)20)16(21)12-4-3-11(18)8-13(12)17/h2-6,8H,7H2,1H3
InChIKeyQTEUZKSQMYWTBF-UHFFFAOYSA-N
MW348.17 g/mol
LogP3.34
Rot. Bonds2

About 5-(2-bromo-4-fluorobenzoyl)-1-methyl-3H-indol-2-one

5-(2-bromo-4-fluorobenzoyl)-1-methyl-3H-indol-2-one (PubChem CID 43339447) has the molecular formula C16H11BrFNO2 and a molecular weight of 348.17 g/mol. Its IUPAC name is 5-(2-bromo-4-fluorobenzoyl)-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-(2-bromo-4-fluorobenzoyl)-1-methyl-3H-indol-2-one
PubChem CID43339447
Molecular FormulaC16H11BrFNO2
Molecular Weight348.17 g/mol
Exact Mass347.00
IUPAC Name5-(2-bromo-4-fluorobenzoyl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(=O)c3ccc(F)cc3Br)ccc21
InChIInChI=1S/C16H11BrFNO2/c1-19-14-5-2-9(6-10(14)7-15(19)20)16(21)12-4-3-11(18)8-13(12)17/h2-6,8H,7H2,1H3
InChIKeyQTEUZKSQMYWTBF-UHFFFAOYSA-N
XLogP3.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.17
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-bromo-2-fluorobenzoyl)-1-methyl-3H-indol-2-one
CID 43161338
5-(3-bromo-5-fluorobenzoyl)-1-methyl-3H-indol-2-one
CID 43248282
5-(2-bromo-3-methylbenzoyl)-1-methyl-3H-indol-2-one
CID 107981641
5-(3-chloro-2-fluorobenzoyl)-1-methyl-3H-indol-2-one
CID 81265370
5-(3,4-dimethylbenzoyl)-1-methyl-3H-indol-2-one
CID 43161351
N,1-dimethyl-2-oxo-3H-indole-5-carboxamide
CID 116827613
2,5-difluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzamide
CID 99842043
(2-bromo-4-fluorophenyl)-(3,5-dimethylphenyl)methanone
CID 18997592
1-methyl-5-[2-(methylaminomethyl)butanoyl]-3H-indol-2-one
CID 116923890
3-(methylamino)-4-(1-methyl-2-oxo-3H-indol-5-yl)-4-oxobutanoic acid
CID 82349909
[2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 2-(2,5-difluorophenyl)sulfanylacetate
CID 9001028
N',N',1-trimethyl-2-oxo-3H-indole-5-carbohydrazide
CID 116847960

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4-fluorobenzoyl)-1-methyl-3H-indol-2-one?
The IUPAC name of 5-(2-bromo-4-fluorobenzoyl)-1-methyl-3H-indol-2-one (CID 43339447) is 5-(2-bromo-4-fluorobenzoyl)-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-(2-bromo-4-fluorobenzoyl)-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-(2-bromo-4-fluorobenzoyl)-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(C(=O)c3ccc(F)cc3Br)ccc21.
What is the InChIKey of 5-(2-bromo-4-fluorobenzoyl)-1-methyl-3H-indol-2-one?
The InChIKey is QTEUZKSQMYWTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFNO2/c1-19-14-5-2-9(6-10(14)7-15(19)20)16(21)12-4-3-11(18)8-13(12)17/h2-6,8H,7H2,1H3.
What are the key properties of 5-(2-bromo-4-fluorobenzoyl)-1-methyl-3H-indol-2-one?
5-(2-bromo-4-fluorobenzoyl)-1-methyl-3H-indol-2-one has a molecular weight of 348.17 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-4-fluorobenzoyl)-1-methyl-3H-indol-2-one is sourced from PubChem (CID 43339447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).