(3Z)-5-bromo-3-[(3-fluorophenyl)methylidene]-1H-indol-2-one

C15H9BrFNO — CID 703626

IUPAC(3Z)-5-bromo-3-[(3-fluorophenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Br)cc2/C1=C/c1cccc(F)c1
InChIInChI=1S/C15H9BrFNO/c16-10-4-5-14-12(8-10)13(15(19)18-14)7-9-2-1-3-11(17)6-9/h1-8H,(H,18,19)/b13-7-
InChIKeyINPIWACJCYCKEU-QPEQYQDCSA-N
MW318.15 g/mol
LogP4.08
Rot. Bonds1

About (3Z)-5-bromo-3-[(3-fluorophenyl)methylidene]-1H-indol-2-one

(3Z)-5-bromo-3-[(3-fluorophenyl)methylidene]-1H-indol-2-one (PubChem CID 703626) has the molecular formula C15H9BrFNO and a molecular weight of 318.15 g/mol. Its IUPAC name is (3Z)-5-bromo-3-[(3-fluorophenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-bromo-3-[(3-fluorophenyl)methylidene]-1H-indol-2-one
PubChem CID703626
Molecular FormulaC15H9BrFNO
Molecular Weight318.15 g/mol
Exact Mass316.99
IUPAC Name(3Z)-5-bromo-3-[(3-fluorophenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Br)cc2/C1=C/c1cccc(F)c1
InChIInChI=1S/C15H9BrFNO/c16-10-4-5-14-12(8-10)13(15(19)18-14)7-9-2-1-3-11(17)6-9/h1-8H,(H,18,19)/b13-7-
InChIKeyINPIWACJCYCKEU-QPEQYQDCSA-N
XLogP4.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.15
LogP ≤ 54.08
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)-5-bromo-3-[(3-fluorophenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-5-bromo-3-[(3-fluorophenyl)methylidene]-1H-indol-2-one (CID 703626) is (3Z)-5-bromo-3-[(3-fluorophenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-bromo-3-[(3-fluorophenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-5-bromo-3-[(3-fluorophenyl)methylidene]-1H-indol-2-one is O=C1Nc2ccc(Br)cc2/C1=C/c1cccc(F)c1.
What is the InChIKey of (3Z)-5-bromo-3-[(3-fluorophenyl)methylidene]-1H-indol-2-one?
The InChIKey is INPIWACJCYCKEU-QPEQYQDCSA-N. The full InChI is InChI=1S/C15H9BrFNO/c16-10-4-5-14-12(8-10)13(15(19)18-14)7-9-2-1-3-11(17)6-9/h1-8H,(H,18,19)/b13-7-.
What are the key properties of (3Z)-5-bromo-3-[(3-fluorophenyl)methylidene]-1H-indol-2-one?
(3Z)-5-bromo-3-[(3-fluorophenyl)methylidene]-1H-indol-2-one has a molecular weight of 318.15 g/mol, XLogP of 4.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-bromo-3-[(3-fluorophenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 703626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).