6-chloro-3-[(2-chlorophenyl)methylidenehydrazinylidene]-5-fluoro-1H-indol-2-one

C15H8Cl2FN3O — CID 135496499

IUPAC6-chloro-3-[(2-chlorophenyl)methylidenehydrazinylidene]-5-fluoro-1H-indol-2-one
SMILESO=C1Nc2cc(Cl)c(F)cc2C1=NN=Cc1ccccc1Cl
InChIInChI=1S/C15H8Cl2FN3O/c16-10-4-2-1-3-8(10)7-19-21-14-9-5-12(18)11(17)6-13(9)20-15(14)22/h1-7H,(H,20,21,22)
InChIKeyVNGUJKXRNNKBHX-UHFFFAOYSA-N
MW336.15 g/mol
LogP3.91
Rot. Bonds2

About 6-chloro-3-[(2-chlorophenyl)methylidenehydrazinylidene]-5-fluoro-1H-indol-2-one

6-chloro-3-[(2-chlorophenyl)methylidenehydrazinylidene]-5-fluoro-1H-indol-2-one (PubChem CID 135496499) has the molecular formula C15H8Cl2FN3O and a molecular weight of 336.15 g/mol. Its IUPAC name is 6-chloro-3-[(2-chlorophenyl)methylidenehydrazinylidene]-5-fluoro-1H-indol-2-one.

Molecular Properties

Compound Name6-chloro-3-[(2-chlorophenyl)methylidenehydrazinylidene]-5-fluoro-1H-indol-2-one
PubChem CID135496499
Molecular FormulaC15H8Cl2FN3O
Molecular Weight336.15 g/mol
Exact Mass335.00
IUPAC Name6-chloro-3-[(2-chlorophenyl)methylidenehydrazinylidene]-5-fluoro-1H-indol-2-one
SMILESO=C1Nc2cc(Cl)c(F)cc2C1=NN=Cc1ccccc1Cl
InChIInChI=1S/C15H8Cl2FN3O/c16-10-4-2-1-3-8(10)7-19-21-14-9-5-12(18)11(17)6-13(9)20-15(14)22/h1-7H,(H,20,21,22)
InChIKeyVNGUJKXRNNKBHX-UHFFFAOYSA-N
XLogP3.91
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.15
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(2-chlorophenyl)methylidenehydrazinylidene]-5-fluoro-1H-indol-2-one?
The IUPAC name of 6-chloro-3-[(2-chlorophenyl)methylidenehydrazinylidene]-5-fluoro-1H-indol-2-one (CID 135496499) is 6-chloro-3-[(2-chlorophenyl)methylidenehydrazinylidene]-5-fluoro-1H-indol-2-one.
What is the SMILES notation for 6-chloro-3-[(2-chlorophenyl)methylidenehydrazinylidene]-5-fluoro-1H-indol-2-one?
The canonical SMILES for 6-chloro-3-[(2-chlorophenyl)methylidenehydrazinylidene]-5-fluoro-1H-indol-2-one is O=C1Nc2cc(Cl)c(F)cc2C1=NN=Cc1ccccc1Cl.
What is the InChIKey of 6-chloro-3-[(2-chlorophenyl)methylidenehydrazinylidene]-5-fluoro-1H-indol-2-one?
The InChIKey is VNGUJKXRNNKBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2FN3O/c16-10-4-2-1-3-8(10)7-19-21-14-9-5-12(18)11(17)6-13(9)20-15(14)22/h1-7H,(H,20,21,22).
What are the key properties of 6-chloro-3-[(2-chlorophenyl)methylidenehydrazinylidene]-5-fluoro-1H-indol-2-one?
6-chloro-3-[(2-chlorophenyl)methylidenehydrazinylidene]-5-fluoro-1H-indol-2-one has a molecular weight of 336.15 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(2-chlorophenyl)methylidenehydrazinylidene]-5-fluoro-1H-indol-2-one is sourced from PubChem (CID 135496499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).