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

C14H7Cl2NO2 — CID 74982377

IUPAC5-(2,3-dichlorophenyl)-1H-indole-2,3-dione
SMILESO=C1Nc2ccc(-c3cccc(Cl)c3Cl)cc2C1=O
InChIInChI=1S/C14H7Cl2NO2/c15-10-3-1-2-8(12(10)16)7-4-5-11-9(6-7)13(18)14(19)17-11/h1-6H,(H,17,18,19)
InChIKeyQVDVQADFVZVMLS-UHFFFAOYSA-N
MW292.12 g/mol
LogP3.80
Rot. Bonds1

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

5-(2,3-dichlorophenyl)-1H-indole-2,3-dione (PubChem CID 74982377) has the molecular formula C14H7Cl2NO2 and a molecular weight of 292.12 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)-1H-indole-2,3-dione
PubChem CID74982377
Molecular FormulaC14H7Cl2NO2
Molecular Weight292.12 g/mol
Exact Mass290.99
IUPAC Name5-(2,3-dichlorophenyl)-1H-indole-2,3-dione
SMILESO=C1Nc2ccc(-c3cccc(Cl)c3Cl)cc2C1=O
InChIInChI=1S/C14H7Cl2NO2/c15-10-3-1-2-8(12(10)16)7-4-5-11-9(6-7)13(18)14(19)17-11/h1-6H,(H,17,18,19)
InChIKeyQVDVQADFVZVMLS-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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Related Compounds

5-(3,4-dichlorophenyl)-1H-indole-2,3-dione
CID 16768769
5-(3-chloro-4-fluorophenyl)-1H-indole-2,3-dione
CID 136589815
methyl 3-chloro-4-(2,3-dioxo-1H-indol-5-yl)benzoate
CID 136589803
3,5-bis(2,3-dichlorophenyl)-1H-pyridin-2-one
CID 133092457
1,4-diphenylbenzene;1H-indole-2,3-dione
CID 175350104
1,2-dichloro-3-(4-fluorophenyl)benzene
CID 57058690
7-chloro-1H-indole-2,3-dione
CID 139078100
copper;1H-indole-2,3-dione
CID 70626411
CID 88931083
CID 88931083
ethane;5-methyl-1H-indole-2,3-dione
CID 167465051
5-chloro-3-[(2,3-dichlorophenyl)methylidene]-1H-indol-2-one
CID 5133305
2-[4-(2,3-dichlorophenyl)-2-fluorophenyl]acetic acid
CID 118835610

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)-1H-indole-2,3-dione?
The IUPAC name of 5-(2,3-dichlorophenyl)-1H-indole-2,3-dione (CID 74982377) is 5-(2,3-dichlorophenyl)-1H-indole-2,3-dione.
What is the SMILES notation for 5-(2,3-dichlorophenyl)-1H-indole-2,3-dione?
The canonical SMILES for 5-(2,3-dichlorophenyl)-1H-indole-2,3-dione is O=C1Nc2ccc(-c3cccc(Cl)c3Cl)cc2C1=O.
What is the InChIKey of 5-(2,3-dichlorophenyl)-1H-indole-2,3-dione?
The InChIKey is QVDVQADFVZVMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2NO2/c15-10-3-1-2-8(12(10)16)7-4-5-11-9(6-7)13(18)14(19)17-11/h1-6H,(H,17,18,19).
What are the key properties of 5-(2,3-dichlorophenyl)-1H-indole-2,3-dione?
5-(2,3-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-(2,3-dichlorophenyl)-1H-indole-2,3-dione is sourced from PubChem (CID 74982377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).