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

C17H14BrNO2 — CID 107981641

IUPAC5-(2-bromo-3-methylbenzoyl)-1-methyl-3H-indol-2-one
SMILESCc1cccc(C(=O)c2ccc3c(c2)CC(=O)N3C)c1Br
InChIInChI=1S/C17H14BrNO2/c1-10-4-3-5-13(16(10)18)17(21)11-6-7-14-12(8-11)9-15(20)19(14)2/h3-8H,9H2,1-2H3
InChIKeyNVEINMLPGWZAAF-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.51
Rot. Bonds2

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

5-(2-bromo-3-methylbenzoyl)-1-methyl-3H-indol-2-one (PubChem CID 107981641) has the molecular formula C17H14BrNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is 5-(2-bromo-3-methylbenzoyl)-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-(2-bromo-3-methylbenzoyl)-1-methyl-3H-indol-2-one
PubChem CID107981641
Molecular FormulaC17H14BrNO2
Molecular Weight344.21 g/mol
Exact Mass343.02
IUPAC Name5-(2-bromo-3-methylbenzoyl)-1-methyl-3H-indol-2-one
SMILESCc1cccc(C(=O)c2ccc3c(c2)CC(=O)N3C)c1Br
InChIInChI=1S/C17H14BrNO2/c1-10-4-3-5-13(16(10)18)17(21)11-6-7-14-12(8-11)9-15(20)19(14)2/h3-8H,9H2,1-2H3
InChIKeyNVEINMLPGWZAAF-UHFFFAOYSA-N
XLogP3.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3,4-dimethylbenzoyl)-1-methyl-3H-indol-2-one
CID 43161351
5-(3-chloro-2-fluorobenzoyl)-1-methyl-3H-indol-2-one
CID 81265370
5-(4-bromo-2-fluorobenzoyl)-1-methyl-3H-indol-2-one
CID 43161338
5-(2-bromo-4-fluorobenzoyl)-1-methyl-3H-indol-2-one
CID 43339447
5-(5-bromofuran-2-carbonyl)-1-methyl-3H-indol-2-one
CID 43463242
N,1-dimethyl-2-oxo-3H-indole-5-carboxamide
CID 116827613
5-(3-bromo-5-fluorobenzoyl)-1-methyl-3H-indol-2-one
CID 43248282
5-(2-bromo-3-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 107981626
1-methyl-5-[2-[(2-methylphenyl)methylsulfanyl]acetyl]-3H-indol-2-one
CID 8972362
6-(2-iodobenzoyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63096091
1-methyl-5-(2-phenylacetyl)-3H-indol-2-one
CID 43339443
6-(4-bromobenzoyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63096081

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-3-methylbenzoyl)-1-methyl-3H-indol-2-one?
The IUPAC name of 5-(2-bromo-3-methylbenzoyl)-1-methyl-3H-indol-2-one (CID 107981641) is 5-(2-bromo-3-methylbenzoyl)-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-(2-bromo-3-methylbenzoyl)-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-(2-bromo-3-methylbenzoyl)-1-methyl-3H-indol-2-one is Cc1cccc(C(=O)c2ccc3c(c2)CC(=O)N3C)c1Br.
What is the InChIKey of 5-(2-bromo-3-methylbenzoyl)-1-methyl-3H-indol-2-one?
The InChIKey is NVEINMLPGWZAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2/c1-10-4-3-5-13(16(10)18)17(21)11-6-7-14-12(8-11)9-15(20)19(14)2/h3-8H,9H2,1-2H3.
What are the key properties of 5-(2-bromo-3-methylbenzoyl)-1-methyl-3H-indol-2-one?
5-(2-bromo-3-methylbenzoyl)-1-methyl-3H-indol-2-one has a molecular weight of 344.21 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-3-methylbenzoyl)-1-methyl-3H-indol-2-one is sourced from PubChem (CID 107981641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).