5-(1-bromo-2-methyl-2-phenylpropyl)-1,3-dihydroindol-2-one

C18H18BrNO — CID 61097734

IUPAC5-(1-bromo-2-methyl-2-phenylpropyl)-1,3-dihydroindol-2-one
SMILESCC(C)(c1ccccc1)C(Br)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C18H18BrNO/c1-18(2,14-6-4-3-5-7-14)17(19)12-8-9-15-13(10-12)11-16(21)20-15/h3-10,17H,11H2,1-2H3,(H,20,21)
InChIKeyLTRGJYCSHNYMLX-UHFFFAOYSA-N
MW344.25 g/mol
LogP4.59
Rot. Bonds3

About 5-(1-bromo-2-methyl-2-phenylpropyl)-1,3-dihydroindol-2-one

5-(1-bromo-2-methyl-2-phenylpropyl)-1,3-dihydroindol-2-one (PubChem CID 61097734) has the molecular formula C18H18BrNO and a molecular weight of 344.25 g/mol. Its IUPAC name is 5-(1-bromo-2-methyl-2-phenylpropyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(1-bromo-2-methyl-2-phenylpropyl)-1,3-dihydroindol-2-one
PubChem CID61097734
Molecular FormulaC18H18BrNO
Molecular Weight344.25 g/mol
Exact Mass343.06
IUPAC Name5-(1-bromo-2-methyl-2-phenylpropyl)-1,3-dihydroindol-2-one
SMILESCC(C)(c1ccccc1)C(Br)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C18H18BrNO/c1-18(2,14-6-4-3-5-7-14)17(19)12-8-9-15-13(10-12)11-16(21)20-15/h3-10,17H,11H2,1-2H3,(H,20,21)
InChIKeyLTRGJYCSHNYMLX-UHFFFAOYSA-N
XLogP4.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(1-bromo-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
CID 61096734
5-(1-hydroxy-2-phenylbutyl)-1,3-dihydroindol-2-one
CID 61088892
5-[amino(bromo)methyl]-1,3-dihydroindol-2-one
CID 116947599
5-(1-chloro-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
CID 61084779
2-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-phenylpropanamide;hydrochloride
CID 120589439
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162
(2S)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 95438818
(2R)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 95438819
5-(1-chloro-2-phenylethyl)-1,3-dihydroindol-2-one
CID 61083581
5-[3-amino-2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydroindol-2-one
CID 116949019
5-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]-1,3-dihydroindol-2-one
CID 61098131
5-[bromo(1,3-dihydro-2-benzofuran-5-yl)methyl]-1,3-dihydroindol-2-one
CID 63744714

Frequently Asked Questions

What is the IUPAC name of 5-(1-bromo-2-methyl-2-phenylpropyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(1-bromo-2-methyl-2-phenylpropyl)-1,3-dihydroindol-2-one (CID 61097734) is 5-(1-bromo-2-methyl-2-phenylpropyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(1-bromo-2-methyl-2-phenylpropyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(1-bromo-2-methyl-2-phenylpropyl)-1,3-dihydroindol-2-one is CC(C)(c1ccccc1)C(Br)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-(1-bromo-2-methyl-2-phenylpropyl)-1,3-dihydroindol-2-one?
The InChIKey is LTRGJYCSHNYMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO/c1-18(2,14-6-4-3-5-7-14)17(19)12-8-9-15-13(10-12)11-16(21)20-15/h3-10,17H,11H2,1-2H3,(H,20,21).
What are the key properties of 5-(1-bromo-2-methyl-2-phenylpropyl)-1,3-dihydroindol-2-one?
5-(1-bromo-2-methyl-2-phenylpropyl)-1,3-dihydroindol-2-one has a molecular weight of 344.25 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-bromo-2-methyl-2-phenylpropyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 61097734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).