(3Z)-3-[(2-chloro-6-fluorophenyl)methylidene]-1-methylindol-2-one

C16H11ClFNO — CID 2442433

IUPAC(3Z)-3-[(2-chloro-6-fluorophenyl)methylidene]-1-methylindol-2-one
SMILESCN1C(=O)/C(=C\c2c(F)cccc2Cl)c2ccccc21
InChIInChI=1S/C16H11ClFNO/c1-19-15-8-3-2-5-10(15)11(16(19)20)9-12-13(17)6-4-7-14(12)18/h2-9H,1H3/b11-9-
InChIKeyZTYXVPTYKFGIEW-LUAWRHEFSA-N
MW287.72 g/mol
LogP4.00
Rot. Bonds1

About (3Z)-3-[(2-chloro-6-fluorophenyl)methylidene]-1-methylindol-2-one

(3Z)-3-[(2-chloro-6-fluorophenyl)methylidene]-1-methylindol-2-one (PubChem CID 2442433) has the molecular formula C16H11ClFNO and a molecular weight of 287.72 g/mol. Its IUPAC name is (3Z)-3-[(2-chloro-6-fluorophenyl)methylidene]-1-methylindol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(2-chloro-6-fluorophenyl)methylidene]-1-methylindol-2-one
PubChem CID2442433
Molecular FormulaC16H11ClFNO
Molecular Weight287.72 g/mol
Exact Mass287.05
IUPAC Name(3Z)-3-[(2-chloro-6-fluorophenyl)methylidene]-1-methylindol-2-one
SMILESCN1C(=O)/C(=C\c2c(F)cccc2Cl)c2ccccc21
InChIInChI=1S/C16H11ClFNO/c1-19-15-8-3-2-5-10(15)11(16(19)20)9-12-13(17)6-4-7-14(12)18/h2-9H,1H3/b11-9-
InChIKeyZTYXVPTYKFGIEW-LUAWRHEFSA-N
XLogP4.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.72
LogP ≤ 54.00
H-Bond Donors ≤ 50
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-chloro-6-fluorophenyl)methylidene]-1-methylindol-2-one?
The IUPAC name of (3Z)-3-[(2-chloro-6-fluorophenyl)methylidene]-1-methylindol-2-one (CID 2442433) is (3Z)-3-[(2-chloro-6-fluorophenyl)methylidene]-1-methylindol-2-one.
What is the SMILES notation for (3Z)-3-[(2-chloro-6-fluorophenyl)methylidene]-1-methylindol-2-one?
The canonical SMILES for (3Z)-3-[(2-chloro-6-fluorophenyl)methylidene]-1-methylindol-2-one is CN1C(=O)/C(=C\c2c(F)cccc2Cl)c2ccccc21.
What is the InChIKey of (3Z)-3-[(2-chloro-6-fluorophenyl)methylidene]-1-methylindol-2-one?
The InChIKey is ZTYXVPTYKFGIEW-LUAWRHEFSA-N. The full InChI is InChI=1S/C16H11ClFNO/c1-19-15-8-3-2-5-10(15)11(16(19)20)9-12-13(17)6-4-7-14(12)18/h2-9H,1H3/b11-9-.
What are the key properties of (3Z)-3-[(2-chloro-6-fluorophenyl)methylidene]-1-methylindol-2-one?
(3Z)-3-[(2-chloro-6-fluorophenyl)methylidene]-1-methylindol-2-one has a molecular weight of 287.72 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2-chloro-6-fluorophenyl)methylidene]-1-methylindol-2-one is sourced from PubChem (CID 2442433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).