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

C12H15ClN2O3 — CID 79336625

IUPAC5-chloro-6-[ethyl(2-hydroxyethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
SMILESCCN(CCO)c1cc2c(cc1Cl)C(O)C(=O)N2
InChIInChI=1S/C12H15ClN2O3/c1-2-15(3-4-16)10-6-9-7(5-8(10)13)11(17)12(18)14-9/h5-6,11,16-17H,2-4H2,1H3,(H,14,18)
InChIKeyROTYYZLLFPWGSW-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.14
Rot. Bonds4

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

5-chloro-6-[ethyl(2-hydroxyethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 79336625) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 5-chloro-6-[ethyl(2-hydroxyethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-6-[ethyl(2-hydroxyethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID79336625
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name5-chloro-6-[ethyl(2-hydroxyethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
SMILESCCN(CCO)c1cc2c(cc1Cl)C(O)C(=O)N2
InChIInChI=1S/C12H15ClN2O3/c1-2-15(3-4-16)10-6-9-7(5-8(10)13)11(17)12(18)14-9/h5-6,11,16-17H,2-4H2,1H3,(H,14,18)
InChIKeyROTYYZLLFPWGSW-UHFFFAOYSA-N
XLogP1.14
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.14
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-chloro-6-(diethylamino)-3-hydroxy-1,3-dihydroindol-2-one
CID 79336757
5-chloro-3-hydroxy-6-[2-hydroxyethyl(methyl)amino]-1,3-dihydroindol-2-one
CID 79336624
5-chloro-3-hydroxy-6-[2-hydroxyethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one
CID 79336490
6-[bis(2-methoxyethyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79345018
2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-propylamino]-N-methylacetamide
CID 79341794
6-[butyl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79336345
2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-(cyanomethyl)amino]acetonitrile
CID 79336274
6-[butan-2-yl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79336894
5-chloro-6-(N-ethylanilino)-3-hydroxy-1,3-dihydroindol-2-one
CID 79345004
6-[butan-2-yl(butyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79341801
2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-(2-methylpropyl)amino]acetamide
CID 79341806
2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-methylamino]-N-ethylacetamide
CID 79336139

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[ethyl(2-hydroxyethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-6-[ethyl(2-hydroxyethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one (CID 79336625) is 5-chloro-6-[ethyl(2-hydroxyethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-6-[ethyl(2-hydroxyethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-6-[ethyl(2-hydroxyethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one is CCN(CCO)c1cc2c(cc1Cl)C(O)C(=O)N2.
What is the InChIKey of 5-chloro-6-[ethyl(2-hydroxyethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is ROTYYZLLFPWGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-2-15(3-4-16)10-6-9-7(5-8(10)13)11(17)12(18)14-9/h5-6,11,16-17H,2-4H2,1H3,(H,14,18).
What are the key properties of 5-chloro-6-[ethyl(2-hydroxyethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one?
5-chloro-6-[ethyl(2-hydroxyethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 270.72 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[ethyl(2-hydroxyethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 79336625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).