(3E)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-7-fluoro-1H-indol-2-one

C15H7Cl2F2NO — CID 58286327

IUPAC(3E)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-7-fluoro-1H-indol-2-one
SMILESO=C1Nc2c(ccc(Cl)c2F)/C1=C\c1cccc(Cl)c1F
InChIInChI=1S/C15H7Cl2F2NO/c16-10-3-1-2-7(12(10)18)6-9-8-4-5-11(17)13(19)14(8)20-15(9)21/h1-6H,(H,20,21)/b9-6+
InChIKeyVMYIGRFZFDUFJW-RMKNXTFCSA-N
MW326.13 g/mol
LogP4.76
Rot. Bonds1

About (3E)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-7-fluoro-1H-indol-2-one

(3E)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-7-fluoro-1H-indol-2-one (PubChem CID 58286327) has the molecular formula C15H7Cl2F2NO and a molecular weight of 326.13 g/mol. Its IUPAC name is (3E)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-7-fluoro-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-7-fluoro-1H-indol-2-one
PubChem CID58286327
Molecular FormulaC15H7Cl2F2NO
Molecular Weight326.13 g/mol
Exact Mass324.99
IUPAC Name(3E)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-7-fluoro-1H-indol-2-one
SMILESO=C1Nc2c(ccc(Cl)c2F)/C1=C\c1cccc(Cl)c1F
InChIInChI=1S/C15H7Cl2F2NO/c16-10-3-1-2-7(12(10)18)6-9-8-4-5-11(17)13(19)14(8)20-15(9)21/h1-6H,(H,20,21)/b9-6+
InChIKeyVMYIGRFZFDUFJW-RMKNXTFCSA-N
XLogP4.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.13
LogP ≤ 54.76
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 (3E)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-7-fluoro-1H-indol-2-one?
The IUPAC name of (3E)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-7-fluoro-1H-indol-2-one (CID 58286327) is (3E)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-7-fluoro-1H-indol-2-one.
What is the SMILES notation for (3E)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-7-fluoro-1H-indol-2-one?
The canonical SMILES for (3E)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-7-fluoro-1H-indol-2-one is O=C1Nc2c(ccc(Cl)c2F)/C1=C\c1cccc(Cl)c1F.
What is the InChIKey of (3E)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-7-fluoro-1H-indol-2-one?
The InChIKey is VMYIGRFZFDUFJW-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H7Cl2F2NO/c16-10-3-1-2-7(12(10)18)6-9-8-4-5-11(17)13(19)14(8)20-15(9)21/h1-6H,(H,20,21)/b9-6+.
What are the key properties of (3E)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-7-fluoro-1H-indol-2-one?
(3E)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-7-fluoro-1H-indol-2-one has a molecular weight of 326.13 g/mol, XLogP of 4.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6-chloro-3-[(3-chloro-2-fluorophenyl)methylidene]-7-fluoro-1H-indol-2-one is sourced from PubChem (CID 58286327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).