1-[(3,4-dichlorophenyl)methyl]-6,7-dihydroindole-2,3-dione

C15H11Cl2NO2 — CID 69108160

IUPAC1-[(3,4-dichlorophenyl)methyl]-6,7-dihydroindole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2=C1C=CCC2
InChIInChI=1S/C15H11Cl2NO2/c16-11-6-5-9(7-12(11)17)8-18-13-4-2-1-3-10(13)14(19)15(18)20/h1,3,5-7H,2,4,8H2
InChIKeyQPUCHHZNEQZZMU-UHFFFAOYSA-N
MW308.16 g/mol
LogP3.51
Rot. Bonds2

About 1-[(3,4-dichlorophenyl)methyl]-6,7-dihydroindole-2,3-dione

1-[(3,4-dichlorophenyl)methyl]-6,7-dihydroindole-2,3-dione (PubChem CID 69108160) has the molecular formula C15H11Cl2NO2 and a molecular weight of 308.16 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-6,7-dihydroindole-2,3-dione.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-6,7-dihydroindole-2,3-dione
PubChem CID69108160
Molecular FormulaC15H11Cl2NO2
Molecular Weight308.16 g/mol
Exact Mass307.02
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-6,7-dihydroindole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2=C1C=CCC2
InChIInChI=1S/C15H11Cl2NO2/c16-11-6-5-9(7-12(11)17)8-18-13-4-2-1-3-10(13)14(19)15(18)20/h1,3,5-7H,2,4,8H2
InChIKeyQPUCHHZNEQZZMU-UHFFFAOYSA-N
XLogP3.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.16
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_fives(89)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-6,7-dihydroindole-2,3-dione?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-6,7-dihydroindole-2,3-dione (CID 69108160) is 1-[(3,4-dichlorophenyl)methyl]-6,7-dihydroindole-2,3-dione.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-6,7-dihydroindole-2,3-dione?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-6,7-dihydroindole-2,3-dione is O=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)C2=C1C=CCC2.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-6,7-dihydroindole-2,3-dione?
The InChIKey is QPUCHHZNEQZZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO2/c16-11-6-5-9(7-12(11)17)8-18-13-4-2-1-3-10(13)14(19)15(18)20/h1,3,5-7H,2,4,8H2.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-6,7-dihydroindole-2,3-dione?
1-[(3,4-dichlorophenyl)methyl]-6,7-dihydroindole-2,3-dione has a molecular weight of 308.16 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-6,7-dihydroindole-2,3-dione is sourced from PubChem (CID 69108160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).