1-(2,6-dichlorophenyl)indole-2,3-dione

C14H7Cl2NO2 — CID 14470146

IUPAC1-(2,6-dichlorophenyl)indole-2,3-dione
SMILESO=C1C(=O)N(c2c(Cl)cccc2Cl)c2ccccc21
InChIInChI=1S/C14H7Cl2NO2/c15-9-5-3-6-10(16)12(9)17-11-7-2-1-4-8(11)13(18)14(17)19/h1-7H
InChIKeyMGEGDVKBXGZTRM-UHFFFAOYSA-N
MW292.12 g/mol
LogP3.85
Rot. Bonds1

About 1-(2,6-dichlorophenyl)indole-2,3-dione

1-(2,6-dichlorophenyl)indole-2,3-dione (PubChem CID 14470146) has the molecular formula C14H7Cl2NO2 and a molecular weight of 292.12 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)indole-2,3-dione.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)indole-2,3-dione
PubChem CID14470146
Molecular FormulaC14H7Cl2NO2
Molecular Weight292.12 g/mol
Exact Mass290.99
IUPAC Name1-(2,6-dichlorophenyl)indole-2,3-dione
SMILESO=C1C(=O)N(c2c(Cl)cccc2Cl)c2ccccc21
InChIInChI=1S/C14H7Cl2NO2/c15-9-5-3-6-10(16)12(9)17-11-7-2-1-4-8(11)13(18)14(17)19/h1-7H
InChIKeyMGEGDVKBXGZTRM-UHFFFAOYSA-N
XLogP3.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diclofenac lactam
CID 27211
1-Phenylisatin
CID 12884
5,7-Dichloro-1H-indole-2,3-dione
CID 80771
1-(4-Chlorobenzyl)-1H-indole-2,3-dione
CID 277990
5-chloro-1H-indole-2,3-dione
CID 87203
4-Chloroisatin
CID 96047
7-Chloroisatin
CID 344135
1-(3,4-dichlorobenzyl)-1H-indole-2,3-dione
CID 1901244
6-Chloroindoline-2,3-dione
CID 241331
1-Chloro-2,3-indoledione
CID 137777
1-Butyl-5-chloroindoline-2,3-dione
CID 4736862
N-Benzoylisatin
CID 34200

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)indole-2,3-dione?
The IUPAC name of 1-(2,6-dichlorophenyl)indole-2,3-dione (CID 14470146) is 1-(2,6-dichlorophenyl)indole-2,3-dione.
What is the SMILES notation for 1-(2,6-dichlorophenyl)indole-2,3-dione?
The canonical SMILES for 1-(2,6-dichlorophenyl)indole-2,3-dione is O=C1C(=O)N(c2c(Cl)cccc2Cl)c2ccccc21.
What is the InChIKey of 1-(2,6-dichlorophenyl)indole-2,3-dione?
The InChIKey is MGEGDVKBXGZTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2NO2/c15-9-5-3-6-10(16)12(9)17-11-7-2-1-4-8(11)13(18)14(17)19/h1-7H.
What are the key properties of 1-(2,6-dichlorophenyl)indole-2,3-dione?
1-(2,6-dichlorophenyl)indole-2,3-dione has a molecular weight of 292.12 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)indole-2,3-dione is sourced from PubChem (CID 14470146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).