(3Z)-3-[(2-chlorophenyl)methylidene]-5-fluoro-1H-indol-2-one

C15H9ClFNO — CID 46504685

IUPAC(3Z)-3-[(2-chlorophenyl)methylidene]-5-fluoro-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2/C1=C/c1ccccc1Cl
InChIInChI=1S/C15H9ClFNO/c16-13-4-2-1-3-9(13)7-12-11-8-10(17)5-6-14(11)18-15(12)19/h1-8H,(H,18,19)/b12-7-
InChIKeySEJDTZJUJGDEFY-GHXNOFRVSA-N
MW273.69 g/mol
LogP3.97
Rot. Bonds1

About (3Z)-3-[(2-chlorophenyl)methylidene]-5-fluoro-1H-indol-2-one

(3Z)-3-[(2-chlorophenyl)methylidene]-5-fluoro-1H-indol-2-one (PubChem CID 46504685) has the molecular formula C15H9ClFNO and a molecular weight of 273.69 g/mol. Its IUPAC name is (3Z)-3-[(2-chlorophenyl)methylidene]-5-fluoro-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(2-chlorophenyl)methylidene]-5-fluoro-1H-indol-2-one
PubChem CID46504685
Molecular FormulaC15H9ClFNO
Molecular Weight273.69 g/mol
Exact Mass273.04
IUPAC Name(3Z)-3-[(2-chlorophenyl)methylidene]-5-fluoro-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2/C1=C/c1ccccc1Cl
InChIInChI=1S/C15H9ClFNO/c16-13-4-2-1-3-9(13)7-12-11-8-10(17)5-6-14(11)18-15(12)19/h1-8H,(H,18,19)/b12-7-
InChIKeySEJDTZJUJGDEFY-GHXNOFRVSA-N
XLogP3.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.69
LogP ≤ 53.97
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 (3Z)-3-[(2-chlorophenyl)methylidene]-5-fluoro-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(2-chlorophenyl)methylidene]-5-fluoro-1H-indol-2-one (CID 46504685) is (3Z)-3-[(2-chlorophenyl)methylidene]-5-fluoro-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(2-chlorophenyl)methylidene]-5-fluoro-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(2-chlorophenyl)methylidene]-5-fluoro-1H-indol-2-one is O=C1Nc2ccc(F)cc2/C1=C/c1ccccc1Cl.
What is the InChIKey of (3Z)-3-[(2-chlorophenyl)methylidene]-5-fluoro-1H-indol-2-one?
The InChIKey is SEJDTZJUJGDEFY-GHXNOFRVSA-N. The full InChI is InChI=1S/C15H9ClFNO/c16-13-4-2-1-3-9(13)7-12-11-8-10(17)5-6-14(11)18-15(12)19/h1-8H,(H,18,19)/b12-7-.
What are the key properties of (3Z)-3-[(2-chlorophenyl)methylidene]-5-fluoro-1H-indol-2-one?
(3Z)-3-[(2-chlorophenyl)methylidene]-5-fluoro-1H-indol-2-one has a molecular weight of 273.69 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2-chlorophenyl)methylidene]-5-fluoro-1H-indol-2-one is sourced from PubChem (CID 46504685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).