5-bromo-6-[cyclopentyl(2-hydroxyethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one

C15H19BrN2O3 — CID 79343920

IUPAC5-bromo-6-[cyclopentyl(2-hydroxyethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(N(CCO)C3CCCC3)c(Br)cc2C1O
InChIInChI=1S/C15H19BrN2O3/c16-11-7-10-12(17-15(21)14(10)20)8-13(11)18(5-6-19)9-3-1-2-4-9/h7-9,14,19-20H,1-6H2,(H,17,21)
InChIKeyZXCLFHWSOGCTPB-UHFFFAOYSA-N
MW355.23 g/mol
LogP2.18
Rot. Bonds4

About 5-bromo-6-[cyclopentyl(2-hydroxyethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one

5-bromo-6-[cyclopentyl(2-hydroxyethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 79343920) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 5-bromo-6-[cyclopentyl(2-hydroxyethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-6-[cyclopentyl(2-hydroxyethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID79343920
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name5-bromo-6-[cyclopentyl(2-hydroxyethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(N(CCO)C3CCCC3)c(Br)cc2C1O
InChIInChI=1S/C15H19BrN2O3/c16-11-7-10-12(17-15(21)14(10)20)8-13(11)18(5-6-19)9-3-1-2-4-9/h7-9,14,19-20H,1-6H2,(H,17,21)
InChIKeyZXCLFHWSOGCTPB-UHFFFAOYSA-N
XLogP2.18
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

5-bromo-6-[cyclopropyl(ethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
CID 79336739
6-[cyclopentyl(ethyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
CID 80759188
5-bromo-3-hydroxy-6-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-dihydroindol-2-one
CID 79335984
6-[cyclopropyl(2-methoxyethyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
CID 80758225
6-[cyclohexyl(methyl)amino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
CID 80758932
5-bromo-6-[2-(dimethylamino)ethyl-propylamino]-3-hydroxy-1,3-dihydroindol-2-one
CID 79343937
5-bromo-6-(cyclopentylmethylsulfanyl)-3-hydroxy-1,3-dihydroindol-2-one
CID 79344559
1-[3-bromo-4-[cyclopentyl(2-hydroxyethyl)amino]phenyl]ethanone
CID 55132262
5-bromo-3-hydroxy-6-[methyl(1-methylsulfanylpropan-2-yl)amino]-1,3-dihydroindol-2-one
CID 112661806
2-[(5-bromo-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-butylamino]acetamide
CID 79343927
5-fluoro-3-hydroxy-6-[2-hydroxyethyl(pentan-3-yl)amino]-1,3-dihydroindol-2-one
CID 80747140
5-bromo-3-hydroxy-6-[1-methoxypropan-2-yl(methyl)amino]-1,3-dihydroindol-2-one
CID 79336257

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[cyclopentyl(2-hydroxyethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-6-[cyclopentyl(2-hydroxyethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one (CID 79343920) is 5-bromo-6-[cyclopentyl(2-hydroxyethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-6-[cyclopentyl(2-hydroxyethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-6-[cyclopentyl(2-hydroxyethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one is O=C1Nc2cc(N(CCO)C3CCCC3)c(Br)cc2C1O.
What is the InChIKey of 5-bromo-6-[cyclopentyl(2-hydroxyethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is ZXCLFHWSOGCTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c16-11-7-10-12(17-15(21)14(10)20)8-13(11)18(5-6-19)9-3-1-2-4-9/h7-9,14,19-20H,1-6H2,(H,17,21).
What are the key properties of 5-bromo-6-[cyclopentyl(2-hydroxyethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one?
5-bromo-6-[cyclopentyl(2-hydroxyethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 355.23 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[cyclopentyl(2-hydroxyethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 79343920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).