3-[(3-bromo-2-fluorophenyl)methylidene]-6-chloro-1,2-dihydroindole

C15H10BrClFN — CID 141383498

IUPAC3-[(3-bromo-2-fluorophenyl)methylidene]-6-chloro-1,2-dihydroindole
SMILESFc1c(Br)cccc1C=C1CNc2cc(Cl)ccc21
InChIInChI=1S/C15H10BrClFN/c16-13-3-1-2-9(15(13)18)6-10-8-19-14-7-11(17)4-5-12(10)14/h1-7,19H,8H2
InChIKeyLSYZEJLVVZRRPL-UHFFFAOYSA-N
MW338.61 g/mol
LogP5.21
Rot. Bonds1

About 3-[(3-bromo-2-fluorophenyl)methylidene]-6-chloro-1,2-dihydroindole

3-[(3-bromo-2-fluorophenyl)methylidene]-6-chloro-1,2-dihydroindole (PubChem CID 141383498) has the molecular formula C15H10BrClFN and a molecular weight of 338.61 g/mol. Its IUPAC name is 3-[(3-bromo-2-fluorophenyl)methylidene]-6-chloro-1,2-dihydroindole.

Molecular Properties

Compound Name3-[(3-bromo-2-fluorophenyl)methylidene]-6-chloro-1,2-dihydroindole
PubChem CID141383498
Molecular FormulaC15H10BrClFN
Molecular Weight338.61 g/mol
Exact Mass336.97
IUPAC Name3-[(3-bromo-2-fluorophenyl)methylidene]-6-chloro-1,2-dihydroindole
SMILESFc1c(Br)cccc1C=C1CNc2cc(Cl)ccc21
InChIInChI=1S/C15H10BrClFN/c16-13-3-1-2-9(15(13)18)6-10-8-19-14-7-11(17)4-5-12(10)14/h1-7,19H,8H2
InChIKeyLSYZEJLVVZRRPL-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.61
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-2-fluorophenyl)methylidene]-6-chloro-1,2-dihydroindole?
The IUPAC name of 3-[(3-bromo-2-fluorophenyl)methylidene]-6-chloro-1,2-dihydroindole (CID 141383498) is 3-[(3-bromo-2-fluorophenyl)methylidene]-6-chloro-1,2-dihydroindole.
What is the SMILES notation for 3-[(3-bromo-2-fluorophenyl)methylidene]-6-chloro-1,2-dihydroindole?
The canonical SMILES for 3-[(3-bromo-2-fluorophenyl)methylidene]-6-chloro-1,2-dihydroindole is Fc1c(Br)cccc1C=C1CNc2cc(Cl)ccc21.
What is the InChIKey of 3-[(3-bromo-2-fluorophenyl)methylidene]-6-chloro-1,2-dihydroindole?
The InChIKey is LSYZEJLVVZRRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClFN/c16-13-3-1-2-9(15(13)18)6-10-8-19-14-7-11(17)4-5-12(10)14/h1-7,19H,8H2.
What are the key properties of 3-[(3-bromo-2-fluorophenyl)methylidene]-6-chloro-1,2-dihydroindole?
3-[(3-bromo-2-fluorophenyl)methylidene]-6-chloro-1,2-dihydroindole has a molecular weight of 338.61 g/mol, XLogP of 5.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-2-fluorophenyl)methylidene]-6-chloro-1,2-dihydroindole is sourced from PubChem (CID 141383498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).