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

C18H24BrNO — CID 106986932

IUPAC5-bromo-3-(4-tert-butylcyclohexyl)-1,3-dihydroindol-2-one
SMILESCC(C)(C)C1CCC(C2C(=O)Nc3ccc(Br)cc32)CC1
InChIInChI=1S/C18H24BrNO/c1-18(2,3)12-6-4-11(5-7-12)16-14-10-13(19)8-9-15(14)20-17(16)21/h8-12,16H,4-7H2,1-3H3,(H,20,21)
InChIKeyRXLZDRHUNBHPOC-UHFFFAOYSA-N
MW350.30 g/mol
LogP5.34
Rot. Bonds1

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

5-bromo-3-(4-tert-butylcyclohexyl)-1,3-dihydroindol-2-one (PubChem CID 106986932) has the molecular formula C18H24BrNO and a molecular weight of 350.30 g/mol. Its IUPAC name is 5-bromo-3-(4-tert-butylcyclohexyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-(4-tert-butylcyclohexyl)-1,3-dihydroindol-2-one
PubChem CID106986932
Molecular FormulaC18H24BrNO
Molecular Weight350.30 g/mol
Exact Mass349.10
IUPAC Name5-bromo-3-(4-tert-butylcyclohexyl)-1,3-dihydroindol-2-one
SMILESCC(C)(C)C1CCC(C2C(=O)Nc3ccc(Br)cc32)CC1
InChIInChI=1S/C18H24BrNO/c1-18(2,3)12-6-4-11(5-7-12)16-14-10-13(19)8-9-15(14)20-17(16)21/h8-12,16H,4-7H2,1-3H3,(H,20,21)
InChIKeyRXLZDRHUNBHPOC-UHFFFAOYSA-N
XLogP5.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.30
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-3-cyclohexyl-1,3-dihydroindol-2-one
CID 83853500
5-fluoro-3-(4-methylcyclohexyl)-1,3-dihydroindol-2-one
CID 106986680
5-bromo-3-(cyclohexylmethylamino)-1,3-dihydroindol-2-one
CID 43371475
(3S)-5-bromo-3-hydroxy-1,3-dihydroindol-2-one
CID 714172
[(3S,4R)-6-bromo-2-oxo-4-phenyl-3,4-dihydro-1H-quinolin-3-yl]-diethylazanium
CID 7438739
3-(4-aminopiperidin-1-yl)-5-bromo-1,3-dihydroindol-2-one
CID 43130809
5-bromo-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methyl]-1,3-dihydroindol-2-one
CID 174456109
9-bromo-2,3,4,4a,6,10b-hexahydro-1H-benzo[c][2,7]naphthyridin-5-one
CID 84642766
5-bromo-3-(cyclohexylamino)-1,3-dihydroindol-2-one
CID 43189941
2-oxo-3-piperidin-4-yl-1,3-dihydroindole-5-carbonitrile
CID 118145957
5-bromo-3-nonyl-1,3-dihydroindol-2-one
CID 106987050
3-cyclobutyl-5-(difluoromethoxy)-1,3-dihydroindol-2-one
CID 106987125

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(4-tert-butylcyclohexyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-3-(4-tert-butylcyclohexyl)-1,3-dihydroindol-2-one (CID 106986932) is 5-bromo-3-(4-tert-butylcyclohexyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3-(4-tert-butylcyclohexyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3-(4-tert-butylcyclohexyl)-1,3-dihydroindol-2-one is CC(C)(C)C1CCC(C2C(=O)Nc3ccc(Br)cc32)CC1.
What is the InChIKey of 5-bromo-3-(4-tert-butylcyclohexyl)-1,3-dihydroindol-2-one?
The InChIKey is RXLZDRHUNBHPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrNO/c1-18(2,3)12-6-4-11(5-7-12)16-14-10-13(19)8-9-15(14)20-17(16)21/h8-12,16H,4-7H2,1-3H3,(H,20,21).
What are the key properties of 5-bromo-3-(4-tert-butylcyclohexyl)-1,3-dihydroindol-2-one?
5-bromo-3-(4-tert-butylcyclohexyl)-1,3-dihydroindol-2-one has a molecular weight of 350.30 g/mol, XLogP of 5.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(4-tert-butylcyclohexyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 106986932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).