5-bromo-1-(3,5-dimethylphenyl)-2,3-dihydroindole

C16H16BrN — CID 86049563

IUPAC5-bromo-1-(3,5-dimethylphenyl)-2,3-dihydroindole
SMILESCc1cc(C)cc(N2CCc3cc(Br)ccc32)c1
InChIInChI=1S/C16H16BrN/c1-11-7-12(2)9-15(8-11)18-6-5-13-10-14(17)3-4-16(13)18/h3-4,7-10H,5-6H2,1-2H3
InChIKeyFERJBGDCZCTOMW-UHFFFAOYSA-N
MW302.22 g/mol
LogP4.76
Rot. Bonds1

About 5-bromo-1-(3,5-dimethylphenyl)-2,3-dihydroindole

5-bromo-1-(3,5-dimethylphenyl)-2,3-dihydroindole (PubChem CID 86049563) has the molecular formula C16H16BrN and a molecular weight of 302.22 g/mol. Its IUPAC name is 5-bromo-1-(3,5-dimethylphenyl)-2,3-dihydroindole.

Molecular Properties

Compound Name5-bromo-1-(3,5-dimethylphenyl)-2,3-dihydroindole
PubChem CID86049563
Molecular FormulaC16H16BrN
Molecular Weight302.22 g/mol
Exact Mass301.05
IUPAC Name5-bromo-1-(3,5-dimethylphenyl)-2,3-dihydroindole
SMILESCc1cc(C)cc(N2CCc3cc(Br)ccc32)c1
InChIInChI=1S/C16H16BrN/c1-11-7-12(2)9-15(8-11)18-6-5-13-10-14(17)3-4-16(13)18/h3-4,7-10H,5-6H2,1-2H3
InChIKeyFERJBGDCZCTOMW-UHFFFAOYSA-N
XLogP4.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(3,5-dimethylphenyl)-2,3-dihydroindole?
The IUPAC name of 5-bromo-1-(3,5-dimethylphenyl)-2,3-dihydroindole (CID 86049563) is 5-bromo-1-(3,5-dimethylphenyl)-2,3-dihydroindole.
What is the SMILES notation for 5-bromo-1-(3,5-dimethylphenyl)-2,3-dihydroindole?
The canonical SMILES for 5-bromo-1-(3,5-dimethylphenyl)-2,3-dihydroindole is Cc1cc(C)cc(N2CCc3cc(Br)ccc32)c1.
What is the InChIKey of 5-bromo-1-(3,5-dimethylphenyl)-2,3-dihydroindole?
The InChIKey is FERJBGDCZCTOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN/c1-11-7-12(2)9-15(8-11)18-6-5-13-10-14(17)3-4-16(13)18/h3-4,7-10H,5-6H2,1-2H3.
What are the key properties of 5-bromo-1-(3,5-dimethylphenyl)-2,3-dihydroindole?
5-bromo-1-(3,5-dimethylphenyl)-2,3-dihydroindole has a molecular weight of 302.22 g/mol, XLogP of 4.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(3,5-dimethylphenyl)-2,3-dihydroindole is sourced from PubChem (CID 86049563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).