N-(7-chloro-4-hydroxy-2-oxo-1,3-dihydroindol-5-yl)acetamide

C10H9ClN2O3 — CID 23064237

IUPACN-(7-chloro-4-hydroxy-2-oxo-1,3-dihydroindol-5-yl)acetamide
SMILESCC(=O)Nc1cc(Cl)c2c(c1O)CC(=O)N2
InChIInChI=1S/C10H9ClN2O3/c1-4(14)12-7-3-6(11)9-5(10(7)16)2-8(15)13-9/h3,16H,2H2,1H3,(H,12,14)(H,13,15)
InChIKeyAXSKCVJFPPNTJI-UHFFFAOYSA-N
MW240.65 g/mol
LogP1.50
Rot. Bonds1

About N-(7-chloro-4-hydroxy-2-oxo-1,3-dihydroindol-5-yl)acetamide

N-(7-chloro-4-hydroxy-2-oxo-1,3-dihydroindol-5-yl)acetamide (PubChem CID 23064237) has the molecular formula C10H9ClN2O3 and a molecular weight of 240.65 g/mol. Its IUPAC name is N-(7-chloro-4-hydroxy-2-oxo-1,3-dihydroindol-5-yl)acetamide.

Molecular Properties

Compound NameN-(7-chloro-4-hydroxy-2-oxo-1,3-dihydroindol-5-yl)acetamide
PubChem CID23064237
Molecular FormulaC10H9ClN2O3
Molecular Weight240.65 g/mol
Exact Mass240.03
IUPAC NameN-(7-chloro-4-hydroxy-2-oxo-1,3-dihydroindol-5-yl)acetamide
SMILESCC(=O)Nc1cc(Cl)c2c(c1O)CC(=O)N2
InChIInChI=1S/C10H9ClN2O3/c1-4(14)12-7-3-6(11)9-5(10(7)16)2-8(15)13-9/h3,16H,2H2,1H3,(H,12,14)(H,13,15)
InChIKeyAXSKCVJFPPNTJI-UHFFFAOYSA-N
XLogP1.50
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.65
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-4-hydroxy-2-oxo-1,3-dihydroindol-5-yl)acetamide?
The IUPAC name of N-(7-chloro-4-hydroxy-2-oxo-1,3-dihydroindol-5-yl)acetamide (CID 23064237) is N-(7-chloro-4-hydroxy-2-oxo-1,3-dihydroindol-5-yl)acetamide.
What is the SMILES notation for N-(7-chloro-4-hydroxy-2-oxo-1,3-dihydroindol-5-yl)acetamide?
The canonical SMILES for N-(7-chloro-4-hydroxy-2-oxo-1,3-dihydroindol-5-yl)acetamide is CC(=O)Nc1cc(Cl)c2c(c1O)CC(=O)N2.
What is the InChIKey of N-(7-chloro-4-hydroxy-2-oxo-1,3-dihydroindol-5-yl)acetamide?
The InChIKey is AXSKCVJFPPNTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O3/c1-4(14)12-7-3-6(11)9-5(10(7)16)2-8(15)13-9/h3,16H,2H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N-(7-chloro-4-hydroxy-2-oxo-1,3-dihydroindol-5-yl)acetamide?
N-(7-chloro-4-hydroxy-2-oxo-1,3-dihydroindol-5-yl)acetamide has a molecular weight of 240.65 g/mol, XLogP of 1.50, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-4-hydroxy-2-oxo-1,3-dihydroindol-5-yl)acetamide is sourced from PubChem (CID 23064237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).