5-bromo-2-[4-(2-fluorophenyl)phenyl]-3H-indole

C20H13BrFN — CID 58119438

IUPAC5-bromo-2-[4-(2-fluorophenyl)phenyl]-3H-indole
SMILESFc1ccccc1-c1ccc(C2=Nc3ccc(Br)cc3C2)cc1
InChIInChI=1S/C20H13BrFN/c21-16-9-10-19-15(11-16)12-20(23-19)14-7-5-13(6-8-14)17-3-1-2-4-18(17)22/h1-11H,12H2
InChIKeyFUOUENLIQBATHO-UHFFFAOYSA-N
MW366.23 g/mol
LogP5.93
Rot. Bonds2

About 5-bromo-2-[4-(2-fluorophenyl)phenyl]-3H-indole

5-bromo-2-[4-(2-fluorophenyl)phenyl]-3H-indole (PubChem CID 58119438) has the molecular formula C20H13BrFN and a molecular weight of 366.23 g/mol. Its IUPAC name is 5-bromo-2-[4-(2-fluorophenyl)phenyl]-3H-indole.

Molecular Properties

Compound Name5-bromo-2-[4-(2-fluorophenyl)phenyl]-3H-indole
PubChem CID58119438
Molecular FormulaC20H13BrFN
Molecular Weight366.23 g/mol
Exact Mass365.02
IUPAC Name5-bromo-2-[4-(2-fluorophenyl)phenyl]-3H-indole
SMILESFc1ccccc1-c1ccc(C2=Nc3ccc(Br)cc3C2)cc1
InChIInChI=1S/C20H13BrFN/c21-16-9-10-19-15(11-16)12-20(23-19)14-7-5-13(6-8-14)17-3-1-2-4-18(17)22/h1-11H,12H2
InChIKeyFUOUENLIQBATHO-UHFFFAOYSA-N
XLogP5.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.23
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[4-(2-fluorophenyl)phenyl]-3H-indole?
The IUPAC name of 5-bromo-2-[4-(2-fluorophenyl)phenyl]-3H-indole (CID 58119438) is 5-bromo-2-[4-(2-fluorophenyl)phenyl]-3H-indole.
What is the SMILES notation for 5-bromo-2-[4-(2-fluorophenyl)phenyl]-3H-indole?
The canonical SMILES for 5-bromo-2-[4-(2-fluorophenyl)phenyl]-3H-indole is Fc1ccccc1-c1ccc(C2=Nc3ccc(Br)cc3C2)cc1.
What is the InChIKey of 5-bromo-2-[4-(2-fluorophenyl)phenyl]-3H-indole?
The InChIKey is FUOUENLIQBATHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrFN/c21-16-9-10-19-15(11-16)12-20(23-19)14-7-5-13(6-8-14)17-3-1-2-4-18(17)22/h1-11H,12H2.
What are the key properties of 5-bromo-2-[4-(2-fluorophenyl)phenyl]-3H-indole?
5-bromo-2-[4-(2-fluorophenyl)phenyl]-3H-indole has a molecular weight of 366.23 g/mol, XLogP of 5.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[4-(2-fluorophenyl)phenyl]-3H-indole is sourced from PubChem (CID 58119438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).