3-[(2-bromo-5-fluorophenyl)methyl]-2-phenyl-1H-indole

C21H15BrFN — CID 172635486

IUPAC3-[(2-bromo-5-fluorophenyl)methyl]-2-phenyl-1H-indole
SMILESFc1ccc(Br)c(Cc2c(-c3ccccc3)[nH]c3ccccc23)c1
InChIInChI=1S/C21H15BrFN/c22-19-11-10-16(23)12-15(19)13-18-17-8-4-5-9-20(17)24-21(18)14-6-2-1-3-7-14/h1-12,24H,13H2
InChIKeyVHQLQJIRMUUZIH-UHFFFAOYSA-N
MW380.26 g/mol
LogP6.33
Rot. Bonds3

About 3-[(2-bromo-5-fluorophenyl)methyl]-2-phenyl-1H-indole

3-[(2-bromo-5-fluorophenyl)methyl]-2-phenyl-1H-indole (PubChem CID 172635486) has the molecular formula C21H15BrFN and a molecular weight of 380.26 g/mol. Its IUPAC name is 3-[(2-bromo-5-fluorophenyl)methyl]-2-phenyl-1H-indole.

Molecular Properties

Compound Name3-[(2-bromo-5-fluorophenyl)methyl]-2-phenyl-1H-indole
PubChem CID172635486
Molecular FormulaC21H15BrFN
Molecular Weight380.26 g/mol
Exact Mass379.04
IUPAC Name3-[(2-bromo-5-fluorophenyl)methyl]-2-phenyl-1H-indole
SMILESFc1ccc(Br)c(Cc2c(-c3ccccc3)[nH]c3ccccc23)c1
InChIInChI=1S/C21H15BrFN/c22-19-11-10-16(23)12-15(19)13-18-17-8-4-5-9-20(17)24-21(18)14-6-2-1-3-7-14/h1-12,24H,13H2
InChIKeyVHQLQJIRMUUZIH-UHFFFAOYSA-N
XLogP6.33
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.26
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-5-fluorophenyl)methyl]-2-phenyl-1H-indole?
The IUPAC name of 3-[(2-bromo-5-fluorophenyl)methyl]-2-phenyl-1H-indole (CID 172635486) is 3-[(2-bromo-5-fluorophenyl)methyl]-2-phenyl-1H-indole.
What is the SMILES notation for 3-[(2-bromo-5-fluorophenyl)methyl]-2-phenyl-1H-indole?
The canonical SMILES for 3-[(2-bromo-5-fluorophenyl)methyl]-2-phenyl-1H-indole is Fc1ccc(Br)c(Cc2c(-c3ccccc3)[nH]c3ccccc23)c1.
What is the InChIKey of 3-[(2-bromo-5-fluorophenyl)methyl]-2-phenyl-1H-indole?
The InChIKey is VHQLQJIRMUUZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrFN/c22-19-11-10-16(23)12-15(19)13-18-17-8-4-5-9-20(17)24-21(18)14-6-2-1-3-7-14/h1-12,24H,13H2.
What are the key properties of 3-[(2-bromo-5-fluorophenyl)methyl]-2-phenyl-1H-indole?
3-[(2-bromo-5-fluorophenyl)methyl]-2-phenyl-1H-indole has a molecular weight of 380.26 g/mol, XLogP of 6.33, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-5-fluorophenyl)methyl]-2-phenyl-1H-indole is sourced from PubChem (CID 172635486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).