3-chloro-5-(2-chloroethyl)indol-2-one

C10H7Cl2NO — CID 152716695

IUPAC3-chloro-5-(2-chloroethyl)indol-2-one
SMILESO=C1N=c2ccc(CCCl)cc2=C1Cl
InChIInChI=1S/C10H7Cl2NO/c11-4-3-6-1-2-8-7(5-6)9(12)10(14)13-8/h1-2,5H,3-4H2
InChIKeyZUTIRUHPVGDXHF-UHFFFAOYSA-N
MW228.08 g/mol
LogP0.97
Rot. Bonds2

About 3-chloro-5-(2-chloroethyl)indol-2-one

3-chloro-5-(2-chloroethyl)indol-2-one (PubChem CID 152716695) has the molecular formula C10H7Cl2NO and a molecular weight of 228.08 g/mol. Its IUPAC name is 3-chloro-5-(2-chloroethyl)indol-2-one.

Molecular Properties

Compound Name3-chloro-5-(2-chloroethyl)indol-2-one
PubChem CID152716695
Molecular FormulaC10H7Cl2NO
Molecular Weight228.08 g/mol
Exact Mass226.99
IUPAC Name3-chloro-5-(2-chloroethyl)indol-2-one
SMILESO=C1N=c2ccc(CCCl)cc2=C1Cl
InChIInChI=1S/C10H7Cl2NO/c11-4-3-6-1-2-8-7(5-6)9(12)10(14)13-8/h1-2,5H,3-4H2
InChIKeyZUTIRUHPVGDXHF-UHFFFAOYSA-N
XLogP0.97
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2-chloroethyl)indol-2-one?
The IUPAC name of 3-chloro-5-(2-chloroethyl)indol-2-one (CID 152716695) is 3-chloro-5-(2-chloroethyl)indol-2-one.
What is the SMILES notation for 3-chloro-5-(2-chloroethyl)indol-2-one?
The canonical SMILES for 3-chloro-5-(2-chloroethyl)indol-2-one is O=C1N=c2ccc(CCCl)cc2=C1Cl.
What is the InChIKey of 3-chloro-5-(2-chloroethyl)indol-2-one?
The InChIKey is ZUTIRUHPVGDXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO/c11-4-3-6-1-2-8-7(5-6)9(12)10(14)13-8/h1-2,5H,3-4H2.
What are the key properties of 3-chloro-5-(2-chloroethyl)indol-2-one?
3-chloro-5-(2-chloroethyl)indol-2-one has a molecular weight of 228.08 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2-chloroethyl)indol-2-one is sourced from PubChem (CID 152716695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).