2-(4-bromo-2-fluoro-6-methylphenyl)-5-methyl-2,3-dihydro-1H-indole

C16H15BrFN — CID 90298111

IUPAC2-(4-bromo-2-fluoro-6-methylphenyl)-5-methyl-2,3-dihydro-1H-indole
SMILESCc1ccc2c(c1)CC(c1c(C)cc(Br)cc1F)N2
InChIInChI=1S/C16H15BrFN/c1-9-3-4-14-11(5-9)7-15(19-14)16-10(2)6-12(17)8-13(16)18/h3-6,8,15,19H,7H2,1-2H3
InChIKeyQCBRJPXDNZSBRL-UHFFFAOYSA-N
MW320.21 g/mol
LogP4.91
Rot. Bonds1

About 2-(4-bromo-2-fluoro-6-methylphenyl)-5-methyl-2,3-dihydro-1H-indole

2-(4-bromo-2-fluoro-6-methylphenyl)-5-methyl-2,3-dihydro-1H-indole (PubChem CID 90298111) has the molecular formula C16H15BrFN and a molecular weight of 320.21 g/mol. Its IUPAC name is 2-(4-bromo-2-fluoro-6-methylphenyl)-5-methyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(4-bromo-2-fluoro-6-methylphenyl)-5-methyl-2,3-dihydro-1H-indole
PubChem CID90298111
Molecular FormulaC16H15BrFN
Molecular Weight320.21 g/mol
Exact Mass319.04
IUPAC Name2-(4-bromo-2-fluoro-6-methylphenyl)-5-methyl-2,3-dihydro-1H-indole
SMILESCc1ccc2c(c1)CC(c1c(C)cc(Br)cc1F)N2
InChIInChI=1S/C16H15BrFN/c1-9-3-4-14-11(5-9)7-15(19-14)16-10(2)6-12(17)8-13(16)18/h3-6,8,15,19H,7H2,1-2H3
InChIKeyQCBRJPXDNZSBRL-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluoro-6-methylphenyl)-5-methyl-2,3-dihydro-1H-indole?
The IUPAC name of 2-(4-bromo-2-fluoro-6-methylphenyl)-5-methyl-2,3-dihydro-1H-indole (CID 90298111) is 2-(4-bromo-2-fluoro-6-methylphenyl)-5-methyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(4-bromo-2-fluoro-6-methylphenyl)-5-methyl-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(4-bromo-2-fluoro-6-methylphenyl)-5-methyl-2,3-dihydro-1H-indole is Cc1ccc2c(c1)CC(c1c(C)cc(Br)cc1F)N2.
What is the InChIKey of 2-(4-bromo-2-fluoro-6-methylphenyl)-5-methyl-2,3-dihydro-1H-indole?
The InChIKey is QCBRJPXDNZSBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN/c1-9-3-4-14-11(5-9)7-15(19-14)16-10(2)6-12(17)8-13(16)18/h3-6,8,15,19H,7H2,1-2H3.
What are the key properties of 2-(4-bromo-2-fluoro-6-methylphenyl)-5-methyl-2,3-dihydro-1H-indole?
2-(4-bromo-2-fluoro-6-methylphenyl)-5-methyl-2,3-dihydro-1H-indole has a molecular weight of 320.21 g/mol, XLogP of 4.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluoro-6-methylphenyl)-5-methyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 90298111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).