5-chloro-3-[(2,3-dichlorophenyl)methylidene]-1H-indol-2-one

C15H8Cl3NO — CID 5133305

IUPAC5-chloro-3-[(2,3-dichlorophenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2C1=Cc1cccc(Cl)c1Cl
InChIInChI=1S/C15H8Cl3NO/c16-9-4-5-13-10(7-9)11(15(20)19-13)6-8-2-1-3-12(17)14(8)18/h1-7H,(H,19,20)
InChIKeyNKBLOWLBVSUSPL-UHFFFAOYSA-N
MW324.59 g/mol
LogP5.14
Rot. Bonds1

About 5-chloro-3-[(2,3-dichlorophenyl)methylidene]-1H-indol-2-one

5-chloro-3-[(2,3-dichlorophenyl)methylidene]-1H-indol-2-one (PubChem CID 5133305) has the molecular formula C15H8Cl3NO and a molecular weight of 324.59 g/mol. Its IUPAC name is 5-chloro-3-[(2,3-dichlorophenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name5-chloro-3-[(2,3-dichlorophenyl)methylidene]-1H-indol-2-one
PubChem CID5133305
Molecular FormulaC15H8Cl3NO
Molecular Weight324.59 g/mol
Exact Mass322.97
IUPAC Name5-chloro-3-[(2,3-dichlorophenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2C1=Cc1cccc(Cl)c1Cl
InChIInChI=1S/C15H8Cl3NO/c16-9-4-5-13-10(7-9)11(15(20)19-13)6-8-2-1-3-12(17)14(8)18/h1-7H,(H,19,20)
InChIKeyNKBLOWLBVSUSPL-UHFFFAOYSA-N
XLogP5.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.59
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(2,3-dichlorophenyl)methylidene]-1H-indol-2-one?
The IUPAC name of 5-chloro-3-[(2,3-dichlorophenyl)methylidene]-1H-indol-2-one (CID 5133305) is 5-chloro-3-[(2,3-dichlorophenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for 5-chloro-3-[(2,3-dichlorophenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for 5-chloro-3-[(2,3-dichlorophenyl)methylidene]-1H-indol-2-one is O=C1Nc2ccc(Cl)cc2C1=Cc1cccc(Cl)c1Cl.
What is the InChIKey of 5-chloro-3-[(2,3-dichlorophenyl)methylidene]-1H-indol-2-one?
The InChIKey is NKBLOWLBVSUSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl3NO/c16-9-4-5-13-10(7-9)11(15(20)19-13)6-8-2-1-3-12(17)14(8)18/h1-7H,(H,19,20).
What are the key properties of 5-chloro-3-[(2,3-dichlorophenyl)methylidene]-1H-indol-2-one?
5-chloro-3-[(2,3-dichlorophenyl)methylidene]-1H-indol-2-one has a molecular weight of 324.59 g/mol, XLogP of 5.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(2,3-dichlorophenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 5133305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).