1-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydroindole

C15H13BrFN — CID 55027487

IUPAC1-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydroindole
SMILESFc1cc(Br)ccc1CN1CCc2ccccc21
InChIInChI=1S/C15H13BrFN/c16-13-6-5-12(14(17)9-13)10-18-8-7-11-3-1-2-4-15(11)18/h1-6,9H,7-8,10H2
InChIKeyYGVQVCINWGITPI-UHFFFAOYSA-N
MW306.18 g/mol
LogP4.15
Rot. Bonds2

About 1-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydroindole

1-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydroindole (PubChem CID 55027487) has the molecular formula C15H13BrFN and a molecular weight of 306.18 g/mol. Its IUPAC name is 1-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydroindole
PubChem CID55027487
Molecular FormulaC15H13BrFN
Molecular Weight306.18 g/mol
Exact Mass305.02
IUPAC Name1-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydroindole
SMILESFc1cc(Br)ccc1CN1CCc2ccccc21
InChIInChI=1S/C15H13BrFN/c16-13-6-5-12(14(17)9-13)10-18-8-7-11-3-1-2-4-15(11)18/h1-6,9H,7-8,10H2
InChIKeyYGVQVCINWGITPI-UHFFFAOYSA-N
XLogP4.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.18
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydroindole?
The IUPAC name of 1-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydroindole (CID 55027487) is 1-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydroindole.
What is the SMILES notation for 1-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydroindole?
The canonical SMILES for 1-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydroindole is Fc1cc(Br)ccc1CN1CCc2ccccc21.
What is the InChIKey of 1-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydroindole?
The InChIKey is YGVQVCINWGITPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN/c16-13-6-5-12(14(17)9-13)10-18-8-7-11-3-1-2-4-15(11)18/h1-6,9H,7-8,10H2.
What are the key properties of 1-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydroindole?
1-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydroindole has a molecular weight of 306.18 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydroindole is sourced from PubChem (CID 55027487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).