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

C16H11BrFNO2 — CID 43248282

IUPAC5-(3-bromo-5-fluorobenzoyl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(=O)c3cc(F)cc(Br)c3)ccc21
InChIInChI=1S/C16H11BrFNO2/c1-19-14-3-2-9(4-10(14)7-15(19)20)16(21)11-5-12(17)8-13(18)6-11/h2-6,8H,7H2,1H3
InChIKeyUJAQUBAAZFJPOV-UHFFFAOYSA-N
MW348.17 g/mol
LogP3.34
Rot. Bonds2

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

5-(3-bromo-5-fluorobenzoyl)-1-methyl-3H-indol-2-one (PubChem CID 43248282) has the molecular formula C16H11BrFNO2 and a molecular weight of 348.17 g/mol. Its IUPAC name is 5-(3-bromo-5-fluorobenzoyl)-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-(3-bromo-5-fluorobenzoyl)-1-methyl-3H-indol-2-one
PubChem CID43248282
Molecular FormulaC16H11BrFNO2
Molecular Weight348.17 g/mol
Exact Mass347.00
IUPAC Name5-(3-bromo-5-fluorobenzoyl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(=O)c3cc(F)cc(Br)c3)ccc21
InChIInChI=1S/C16H11BrFNO2/c1-19-14-3-2-9(4-10(14)7-15(19)20)16(21)11-5-12(17)8-13(18)6-11/h2-6,8H,7H2,1H3
InChIKeyUJAQUBAAZFJPOV-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-(2-bromo-4-fluorobenzoyl)-1-methyl-3H-indol-2-one
CID 43339447
5-(4-bromo-2-fluorobenzoyl)-1-methyl-3H-indol-2-one
CID 43161338
5-(3,4-dimethylbenzoyl)-1-methyl-3H-indol-2-one
CID 43161351
5-(5-bromofuran-2-carbonyl)-1-methyl-3H-indol-2-one
CID 43463242
5-(2-bromo-3-methylbenzoyl)-1-methyl-3H-indol-2-one
CID 107981641
6-(4-bromobenzoyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63096081
5-(3-chloro-2-fluorobenzoyl)-1-methyl-3H-indol-2-one
CID 81265370
N,1-dimethyl-2-oxo-3H-indole-5-carboxamide
CID 116827613
N',N',1-trimethyl-2-oxo-3H-indole-5-carbohydrazide
CID 116847960
5-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-1-methyl-3H-indol-2-one
CID 43463235
4-(1-methyl-2-oxo-3H-indole-5-carbonyl)-1H-imidazole-5-carboxylic acid
CID 116520148
N-butan-2-yl-1-methyl-2-oxo-3H-indole-5-carboxamide
CID 52986149

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-5-fluorobenzoyl)-1-methyl-3H-indol-2-one?
The IUPAC name of 5-(3-bromo-5-fluorobenzoyl)-1-methyl-3H-indol-2-one (CID 43248282) is 5-(3-bromo-5-fluorobenzoyl)-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-(3-bromo-5-fluorobenzoyl)-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-(3-bromo-5-fluorobenzoyl)-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(C(=O)c3cc(F)cc(Br)c3)ccc21.
What is the InChIKey of 5-(3-bromo-5-fluorobenzoyl)-1-methyl-3H-indol-2-one?
The InChIKey is UJAQUBAAZFJPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFNO2/c1-19-14-3-2-9(4-10(14)7-15(19)20)16(21)11-5-12(17)8-13(18)6-11/h2-6,8H,7H2,1H3.
What are the key properties of 5-(3-bromo-5-fluorobenzoyl)-1-methyl-3H-indol-2-one?
5-(3-bromo-5-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-(3-bromo-5-fluorobenzoyl)-1-methyl-3H-indol-2-one is sourced from PubChem (CID 43248282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).