5-bromo-2-[2-(4-chlorophenyl)ethyl]-1H-indole

C16H13BrClN — CID 162299734

IUPAC5-bromo-2-[2-(4-chlorophenyl)ethyl]-1H-indole
SMILESClc1ccc(CCc2cc3cc(Br)ccc3[nH]2)cc1
InChIInChI=1S/C16H13BrClN/c17-13-4-8-16-12(9-13)10-15(19-16)7-3-11-1-5-14(18)6-2-11/h1-2,4-6,8-10,19H,3,7H2
InChIKeyNPJXBHIYORFHGD-UHFFFAOYSA-N
MW334.64 g/mol
LogP5.37
Rot. Bonds3

About 5-bromo-2-[2-(4-chlorophenyl)ethyl]-1H-indole

5-bromo-2-[2-(4-chlorophenyl)ethyl]-1H-indole (PubChem CID 162299734) has the molecular formula C16H13BrClN and a molecular weight of 334.64 g/mol. Its IUPAC name is 5-bromo-2-[2-(4-chlorophenyl)ethyl]-1H-indole.

Molecular Properties

Compound Name5-bromo-2-[2-(4-chlorophenyl)ethyl]-1H-indole
PubChem CID162299734
Molecular FormulaC16H13BrClN
Molecular Weight334.64 g/mol
Exact Mass332.99
IUPAC Name5-bromo-2-[2-(4-chlorophenyl)ethyl]-1H-indole
SMILESClc1ccc(CCc2cc3cc(Br)ccc3[nH]2)cc1
InChIInChI=1S/C16H13BrClN/c17-13-4-8-16-12(9-13)10-15(19-16)7-3-11-1-5-14(18)6-2-11/h1-2,4-6,8-10,19H,3,7H2
InChIKeyNPJXBHIYORFHGD-UHFFFAOYSA-N
XLogP5.37
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.64
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-(4-chlorophenyl)ethyl]-1H-indole?
The IUPAC name of 5-bromo-2-[2-(4-chlorophenyl)ethyl]-1H-indole (CID 162299734) is 5-bromo-2-[2-(4-chlorophenyl)ethyl]-1H-indole.
What is the SMILES notation for 5-bromo-2-[2-(4-chlorophenyl)ethyl]-1H-indole?
The canonical SMILES for 5-bromo-2-[2-(4-chlorophenyl)ethyl]-1H-indole is Clc1ccc(CCc2cc3cc(Br)ccc3[nH]2)cc1.
What is the InChIKey of 5-bromo-2-[2-(4-chlorophenyl)ethyl]-1H-indole?
The InChIKey is NPJXBHIYORFHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClN/c17-13-4-8-16-12(9-13)10-15(19-16)7-3-11-1-5-14(18)6-2-11/h1-2,4-6,8-10,19H,3,7H2.
What are the key properties of 5-bromo-2-[2-(4-chlorophenyl)ethyl]-1H-indole?
5-bromo-2-[2-(4-chlorophenyl)ethyl]-1H-indole has a molecular weight of 334.64 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-(4-chlorophenyl)ethyl]-1H-indole is sourced from PubChem (CID 162299734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).