4-chloro-1-(5-chloropentyl)indole-2,3-dione

C13H13Cl2NO2 — CID 61359890

IUPAC4-chloro-1-(5-chloropentyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCCCCCl)c2cccc(Cl)c21
InChIInChI=1S/C13H13Cl2NO2/c14-7-2-1-3-8-16-10-6-4-5-9(15)11(10)12(17)13(16)18/h4-6H,1-3,7-8H2
InChIKeyBATCJDMTHAHAJI-UHFFFAOYSA-N
MW286.16 g/mol
LogP3.28
Rot. Bonds5

About 4-chloro-1-(5-chloropentyl)indole-2,3-dione

4-chloro-1-(5-chloropentyl)indole-2,3-dione (PubChem CID 61359890) has the molecular formula C13H13Cl2NO2 and a molecular weight of 286.16 g/mol. Its IUPAC name is 4-chloro-1-(5-chloropentyl)indole-2,3-dione.

Molecular Properties

Compound Name4-chloro-1-(5-chloropentyl)indole-2,3-dione
PubChem CID61359890
Molecular FormulaC13H13Cl2NO2
Molecular Weight286.16 g/mol
Exact Mass285.03
IUPAC Name4-chloro-1-(5-chloropentyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCCCCCl)c2cccc(Cl)c21
InChIInChI=1S/C13H13Cl2NO2/c14-7-2-1-3-8-16-10-6-4-5-9(15)11(10)12(17)13(16)18/h4-6H,1-3,7-8H2
InChIKeyBATCJDMTHAHAJI-UHFFFAOYSA-N
XLogP3.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(5-chloropentyl)indole-2,3-dione?
The IUPAC name of 4-chloro-1-(5-chloropentyl)indole-2,3-dione (CID 61359890) is 4-chloro-1-(5-chloropentyl)indole-2,3-dione.
What is the SMILES notation for 4-chloro-1-(5-chloropentyl)indole-2,3-dione?
The canonical SMILES for 4-chloro-1-(5-chloropentyl)indole-2,3-dione is O=C1C(=O)N(CCCCCCl)c2cccc(Cl)c21.
What is the InChIKey of 4-chloro-1-(5-chloropentyl)indole-2,3-dione?
The InChIKey is BATCJDMTHAHAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO2/c14-7-2-1-3-8-16-10-6-4-5-9(15)11(10)12(17)13(16)18/h4-6H,1-3,7-8H2.
What are the key properties of 4-chloro-1-(5-chloropentyl)indole-2,3-dione?
4-chloro-1-(5-chloropentyl)indole-2,3-dione has a molecular weight of 286.16 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(5-chloropentyl)indole-2,3-dione is sourced from PubChem (CID 61359890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).