5-bromo-3-(cyclohexylmethylamino)-1,3-dihydroindol-2-one

C15H19BrN2O — CID 43371475

IUPAC5-bromo-3-(cyclohexylmethylamino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Br)cc2C1NCC1CCCCC1
InChIInChI=1S/C15H19BrN2O/c16-11-6-7-13-12(8-11)14(15(19)18-13)17-9-10-4-2-1-3-5-10/h6-8,10,14,17H,1-5,9H2,(H,18,19)
InChIKeyLIYWVCDOMMNUKK-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.61
Rot. Bonds3

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

5-bromo-3-(cyclohexylmethylamino)-1,3-dihydroindol-2-one (PubChem CID 43371475) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 5-bromo-3-(cyclohexylmethylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-3-(cyclohexylmethylamino)-1,3-dihydroindol-2-one
PubChem CID43371475
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name5-bromo-3-(cyclohexylmethylamino)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Br)cc2C1NCC1CCCCC1
InChIInChI=1S/C15H19BrN2O/c16-11-6-7-13-12(8-11)14(15(19)18-13)17-9-10-4-2-1-3-5-10/h6-8,10,14,17H,1-5,9H2,(H,18,19)
InChIKeyLIYWVCDOMMNUKK-UHFFFAOYSA-N
XLogP3.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-(cyclohexylamino)-1,3-dihydroindol-2-one
CID 43189941
3-(cyclopentylmethylamino)-1,3-dihydroindol-2-one
CID 43370920
5-bromo-3-(2-pyrrolidin-1-ylethylamino)-1,3-dihydroindol-2-one
CID 43203362
5-bromo-3-(prop-2-enylamino)-1,3-dihydroindol-2-one
CID 43189550
5-bromo-3-(3-ethoxypropylamino)-1,3-dihydroindol-2-one
CID 43196127
5-bromo-3-[(4-methylphenyl)methylamino]-1,3-dihydroindol-2-one
CID 43196080
2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)amino]-N,N-dimethylacetamide
CID 43310910
5-bromo-3-(3-ethenoxypropylamino)-1,3-dihydroindol-2-one
CID 43207251
5-bromo-3-(butan-2-ylamino)-1,3-dihydroindol-2-one
CID 43190207
5-bromo-3-(1-methoxypropan-2-ylamino)-1,3-dihydroindol-2-one
CID 43191810
5-bromo-3-(thiophen-2-ylmethylamino)-1,3-dihydroindol-2-one
CID 43204711
5-bromo-3-(4-iodoanilino)-1,3-dihydroindol-2-one
CID 43124419

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(cyclohexylmethylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-3-(cyclohexylmethylamino)-1,3-dihydroindol-2-one (CID 43371475) is 5-bromo-3-(cyclohexylmethylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-3-(cyclohexylmethylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-3-(cyclohexylmethylamino)-1,3-dihydroindol-2-one is O=C1Nc2ccc(Br)cc2C1NCC1CCCCC1.
What is the InChIKey of 5-bromo-3-(cyclohexylmethylamino)-1,3-dihydroindol-2-one?
The InChIKey is LIYWVCDOMMNUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c16-11-6-7-13-12(8-11)14(15(19)18-13)17-9-10-4-2-1-3-5-10/h6-8,10,14,17H,1-5,9H2,(H,18,19).
What are the key properties of 5-bromo-3-(cyclohexylmethylamino)-1,3-dihydroindol-2-one?
5-bromo-3-(cyclohexylmethylamino)-1,3-dihydroindol-2-one has a molecular weight of 323.23 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(cyclohexylmethylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43371475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).