2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-methylamino]-N-ethylacetamide

C13H16ClN3O3 — CID 79336139

IUPAC2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)c1cc2c(cc1Cl)C(O)C(=O)N2
InChIInChI=1S/C13H16ClN3O3/c1-3-15-11(18)6-17(2)10-5-9-7(4-8(10)14)12(19)13(20)16-9/h4-5,12,19H,3,6H2,1-2H3,(H,15,18)(H,16,20)
InChIKeyXSLMMTTZNUUQAQ-UHFFFAOYSA-N
MW297.74 g/mol
LogP0.90
Rot. Bonds4

About 2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-methylamino]-N-ethylacetamide

2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-methylamino]-N-ethylacetamide (PubChem CID 79336139) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is 2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-methylamino]-N-ethylacetamide
PubChem CID79336139
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC Name2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)c1cc2c(cc1Cl)C(O)C(=O)N2
InChIInChI=1S/C13H16ClN3O3/c1-3-15-11(18)6-17(2)10-5-9-7(4-8(10)14)12(19)13(20)16-9/h4-5,12,19H,3,6H2,1-2H3,(H,15,18)(H,16,20)
InChIKeyXSLMMTTZNUUQAQ-UHFFFAOYSA-N
XLogP0.90
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 50.90
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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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-methylamino]-N-ethylacetamide?
The IUPAC name of 2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-methylamino]-N-ethylacetamide (CID 79336139) is 2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-methylamino]-N-ethylacetamide is CCNC(=O)CN(C)c1cc2c(cc1Cl)C(O)C(=O)N2.
What is the InChIKey of 2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-methylamino]-N-ethylacetamide?
The InChIKey is XSLMMTTZNUUQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3/c1-3-15-11(18)6-17(2)10-5-9-7(4-8(10)14)12(19)13(20)16-9/h4-5,12,19H,3,6H2,1-2H3,(H,15,18)(H,16,20).
What are the key properties of 2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-methylamino]-N-ethylacetamide?
2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-methylamino]-N-ethylacetamide has a molecular weight of 297.74 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-methylamino]-N-ethylacetamide is sourced from PubChem (CID 79336139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).