3-(2,3-dichlorophenyl)imino-1H-indol-2-one

C14H8Cl2N2O — CID 135559217

IUPAC3-(2,3-dichlorophenyl)imino-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=N/c1cccc(Cl)c1Cl
InChIInChI=1S/C14H8Cl2N2O/c15-9-5-3-7-11(12(9)16)17-13-8-4-1-2-6-10(8)18-14(13)19/h1-7H,(H,17,18,19)
InChIKeyAUBZCTXOLGPERG-UHFFFAOYSA-N
MW291.14 g/mol
LogP4.07
Rot. Bonds1

About 3-(2,3-dichlorophenyl)imino-1H-indol-2-one

3-(2,3-dichlorophenyl)imino-1H-indol-2-one (PubChem CID 135559217) has the molecular formula C14H8Cl2N2O and a molecular weight of 291.14 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)imino-1H-indol-2-one.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)imino-1H-indol-2-one
PubChem CID135559217
Molecular FormulaC14H8Cl2N2O
Molecular Weight291.14 g/mol
Exact Mass290.00
IUPAC Name3-(2,3-dichlorophenyl)imino-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=N/c1cccc(Cl)c1Cl
InChIInChI=1S/C14H8Cl2N2O/c15-9-5-3-7-11(12(9)16)17-13-8-4-1-2-6-10(8)18-14(13)19/h1-7H,(H,17,18,19)
InChIKeyAUBZCTXOLGPERG-UHFFFAOYSA-N
XLogP4.07
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)imino-1H-indol-2-one?
The IUPAC name of 3-(2,3-dichlorophenyl)imino-1H-indol-2-one (CID 135559217) is 3-(2,3-dichlorophenyl)imino-1H-indol-2-one.
What is the SMILES notation for 3-(2,3-dichlorophenyl)imino-1H-indol-2-one?
The canonical SMILES for 3-(2,3-dichlorophenyl)imino-1H-indol-2-one is O=C1Nc2ccccc2/C1=N/c1cccc(Cl)c1Cl.
What is the InChIKey of 3-(2,3-dichlorophenyl)imino-1H-indol-2-one?
The InChIKey is AUBZCTXOLGPERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O/c15-9-5-3-7-11(12(9)16)17-13-8-4-1-2-6-10(8)18-14(13)19/h1-7H,(H,17,18,19).
What are the key properties of 3-(2,3-dichlorophenyl)imino-1H-indol-2-one?
3-(2,3-dichlorophenyl)imino-1H-indol-2-one has a molecular weight of 291.14 g/mol, XLogP of 4.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)imino-1H-indol-2-one is sourced from PubChem (CID 135559217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).