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

C13H17ClN2O3 — CID 79336490

IUPAC5-chloro-3-hydroxy-6-[2-hydroxyethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one
SMILESCC(C)N(CCO)c1cc2c(cc1Cl)C(O)C(=O)N2
InChIInChI=1S/C13H17ClN2O3/c1-7(2)16(3-4-17)11-6-10-8(5-9(11)14)12(18)13(19)15-10/h5-7,12,17-18H,3-4H2,1-2H3,(H,15,19)
InChIKeyNVAKXFWWPLHLSJ-UHFFFAOYSA-N
MW284.74 g/mol
LogP1.53
Rot. Bonds4

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

5-chloro-3-hydroxy-6-[2-hydroxyethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one (PubChem CID 79336490) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 5-chloro-3-hydroxy-6-[2-hydroxyethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-hydroxy-6-[2-hydroxyethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one
PubChem CID79336490
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name5-chloro-3-hydroxy-6-[2-hydroxyethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one
SMILESCC(C)N(CCO)c1cc2c(cc1Cl)C(O)C(=O)N2
InChIInChI=1S/C13H17ClN2O3/c1-7(2)16(3-4-17)11-6-10-8(5-9(11)14)12(18)13(19)15-10/h5-7,12,17-18H,3-4H2,1-2H3,(H,15,19)
InChIKeyNVAKXFWWPLHLSJ-UHFFFAOYSA-N
XLogP1.53
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-chloro-3-hydroxy-6-[2-hydroxyethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-hydroxy-6-[2-hydroxyethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-hydroxy-6-[2-hydroxyethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one (CID 79336490) is 5-chloro-3-hydroxy-6-[2-hydroxyethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-hydroxy-6-[2-hydroxyethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-hydroxy-6-[2-hydroxyethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one is CC(C)N(CCO)c1cc2c(cc1Cl)C(O)C(=O)N2.
What is the InChIKey of 5-chloro-3-hydroxy-6-[2-hydroxyethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one?
The InChIKey is NVAKXFWWPLHLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-7(2)16(3-4-17)11-6-10-8(5-9(11)14)12(18)13(19)15-10/h5-7,12,17-18H,3-4H2,1-2H3,(H,15,19).
What are the key properties of 5-chloro-3-hydroxy-6-[2-hydroxyethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one?
5-chloro-3-hydroxy-6-[2-hydroxyethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one has a molecular weight of 284.74 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-hydroxy-6-[2-hydroxyethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 79336490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).