5-(3,4-dichlorophenyl)-1H-indole-2,3-dione

C14H7Cl2NO2 — CID 16768769

IUPAC5-(3,4-dichlorophenyl)-1H-indole-2,3-dione
SMILESO=C1Nc2ccc(-c3ccc(Cl)c(Cl)c3)cc2C1=O
InChIInChI=1S/C14H7Cl2NO2/c15-10-3-1-8(6-11(10)16)7-2-4-12-9(5-7)13(18)14(19)17-12/h1-6H,(H,17,18,19)
InChIKeyDQSDOAUEUCCQCM-UHFFFAOYSA-N
MW292.12 g/mol
LogP3.80
Rot. Bonds1

About 5-(3,4-dichlorophenyl)-1H-indole-2,3-dione

5-(3,4-dichlorophenyl)-1H-indole-2,3-dione (PubChem CID 16768769) has the molecular formula C14H7Cl2NO2 and a molecular weight of 292.12 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-1H-indole-2,3-dione
PubChem CID16768769
Molecular FormulaC14H7Cl2NO2
Molecular Weight292.12 g/mol
Exact Mass290.99
IUPAC Name5-(3,4-dichlorophenyl)-1H-indole-2,3-dione
SMILESO=C1Nc2ccc(-c3ccc(Cl)c(Cl)c3)cc2C1=O
InChIInChI=1S/C14H7Cl2NO2/c15-10-3-1-8(6-11(10)16)7-2-4-12-9(5-7)13(18)14(19)17-12/h1-6H,(H,17,18,19)
InChIKeyDQSDOAUEUCCQCM-UHFFFAOYSA-N
XLogP3.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-1H-indole-2,3-dione?
The IUPAC name of 5-(3,4-dichlorophenyl)-1H-indole-2,3-dione (CID 16768769) is 5-(3,4-dichlorophenyl)-1H-indole-2,3-dione.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-1H-indole-2,3-dione?
The canonical SMILES for 5-(3,4-dichlorophenyl)-1H-indole-2,3-dione is O=C1Nc2ccc(-c3ccc(Cl)c(Cl)c3)cc2C1=O.
What is the InChIKey of 5-(3,4-dichlorophenyl)-1H-indole-2,3-dione?
The InChIKey is DQSDOAUEUCCQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2NO2/c15-10-3-1-8(6-11(10)16)7-2-4-12-9(5-7)13(18)14(19)17-12/h1-6H,(H,17,18,19).
What are the key properties of 5-(3,4-dichlorophenyl)-1H-indole-2,3-dione?
5-(3,4-dichlorophenyl)-1H-indole-2,3-dione has a molecular weight of 292.12 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-1H-indole-2,3-dione is sourced from PubChem (CID 16768769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).