5-(4-bromo-2-methylbenzoyl)-1,3-dihydroindol-2-one

C16H12BrNO2 — CID 43629644

IUPAC5-(4-bromo-2-methylbenzoyl)-1,3-dihydroindol-2-one
SMILESCc1cc(Br)ccc1C(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C16H12BrNO2/c1-9-6-12(17)3-4-13(9)16(20)10-2-5-14-11(7-10)8-15(19)18-14/h2-7H,8H2,1H3,(H,18,19)
InChIKeyZNYHEVLFQGIBJW-UHFFFAOYSA-N
MW330.18 g/mol
LogP3.48
Rot. Bonds2

About 5-(4-bromo-2-methylbenzoyl)-1,3-dihydroindol-2-one

5-(4-bromo-2-methylbenzoyl)-1,3-dihydroindol-2-one (PubChem CID 43629644) has the molecular formula C16H12BrNO2 and a molecular weight of 330.18 g/mol. Its IUPAC name is 5-(4-bromo-2-methylbenzoyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(4-bromo-2-methylbenzoyl)-1,3-dihydroindol-2-one
PubChem CID43629644
Molecular FormulaC16H12BrNO2
Molecular Weight330.18 g/mol
Exact Mass329.01
IUPAC Name5-(4-bromo-2-methylbenzoyl)-1,3-dihydroindol-2-one
SMILESCc1cc(Br)ccc1C(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C16H12BrNO2/c1-9-6-12(17)3-4-13(9)16(20)10-2-5-14-11(7-10)8-15(19)18-14/h2-7H,8H2,1H3,(H,18,19)
InChIKeyZNYHEVLFQGIBJW-UHFFFAOYSA-N
XLogP3.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-methylbenzoyl)-1,3-dihydroindol-2-one
CID 43160618
5-(2,3-dimethylbenzoyl)-1,3-dihydroindol-2-one
CID 43160594
5-(3-bromo-5-methylbenzoyl)-1,3-dihydroindol-2-one
CID 104850942
5-(5-bromo-4-methylthiophene-2-carbonyl)-1,3-dihydroindol-2-one
CID 79981848
5-(3-methoxy-4-methylbenzoyl)-1,3-dihydroindol-2-one
CID 43338590
5-(3-methylthiophene-2-carbonyl)-1,3-dihydroindol-2-one
CID 43462953
5-(2-iodobenzoyl)-1,3-dihydroindol-2-one
CID 43338616
5-(4-ethylbenzoyl)-1,3-dihydroindol-2-one
CID 43338587
[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] 4-bromo-2-fluorobenzoate
CID 9388030
5-(3,5-difluorobenzoyl)-1,3-dihydroindol-2-one
CID 43338600
5-(2,2-dimethylpropanoyl)-1,3-dihydroindol-2-one
CID 43160600
2-methyl-3-oxo-3-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 116918199

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-methylbenzoyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(4-bromo-2-methylbenzoyl)-1,3-dihydroindol-2-one (CID 43629644) is 5-(4-bromo-2-methylbenzoyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(4-bromo-2-methylbenzoyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(4-bromo-2-methylbenzoyl)-1,3-dihydroindol-2-one is Cc1cc(Br)ccc1C(=O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-(4-bromo-2-methylbenzoyl)-1,3-dihydroindol-2-one?
The InChIKey is ZNYHEVLFQGIBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO2/c1-9-6-12(17)3-4-13(9)16(20)10-2-5-14-11(7-10)8-15(19)18-14/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 5-(4-bromo-2-methylbenzoyl)-1,3-dihydroindol-2-one?
5-(4-bromo-2-methylbenzoyl)-1,3-dihydroindol-2-one has a molecular weight of 330.18 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-methylbenzoyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43629644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).