2-[7-bromo-2-(4-chlorophenyl)-1H-indol-3-yl]acetic acid

C16H11BrClNO2 — CID 43542803

IUPAC2-[7-bromo-2-(4-chlorophenyl)-1H-indol-3-yl]acetic acid
SMILESO=C(O)Cc1c(-c2ccc(Cl)cc2)[nH]c2c(Br)cccc12
InChIInChI=1S/C16H11BrClNO2/c17-13-3-1-2-11-12(8-14(20)21)15(19-16(11)13)9-4-6-10(18)7-5-9/h1-7,19H,8H2,(H,20,21)
InChIKeyUZHXKGSZTGKJIM-UHFFFAOYSA-N
MW364.63 g/mol
LogP4.88
Rot. Bonds3

About 2-[7-bromo-2-(4-chlorophenyl)-1H-indol-3-yl]acetic acid

2-[7-bromo-2-(4-chlorophenyl)-1H-indol-3-yl]acetic acid (PubChem CID 43542803) has the molecular formula C16H11BrClNO2 and a molecular weight of 364.63 g/mol. Its IUPAC name is 2-[7-bromo-2-(4-chlorophenyl)-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[7-bromo-2-(4-chlorophenyl)-1H-indol-3-yl]acetic acid
PubChem CID43542803
Molecular FormulaC16H11BrClNO2
Molecular Weight364.63 g/mol
Exact Mass362.97
IUPAC Name2-[7-bromo-2-(4-chlorophenyl)-1H-indol-3-yl]acetic acid
SMILESO=C(O)Cc1c(-c2ccc(Cl)cc2)[nH]c2c(Br)cccc12
InChIInChI=1S/C16H11BrClNO2/c17-13-3-1-2-11-12(8-14(20)21)15(19-16(11)13)9-4-6-10(18)7-5-9/h1-7,19H,8H2,(H,20,21)
InChIKeyUZHXKGSZTGKJIM-UHFFFAOYSA-N
XLogP4.88
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.63
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[7-bromo-2-(4-chlorophenyl)-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[7-bromo-2-(4-chlorophenyl)-1H-indol-3-yl]acetic acid (CID 43542803) is 2-[7-bromo-2-(4-chlorophenyl)-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[7-bromo-2-(4-chlorophenyl)-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[7-bromo-2-(4-chlorophenyl)-1H-indol-3-yl]acetic acid is O=C(O)Cc1c(-c2ccc(Cl)cc2)[nH]c2c(Br)cccc12.
What is the InChIKey of 2-[7-bromo-2-(4-chlorophenyl)-1H-indol-3-yl]acetic acid?
The InChIKey is UZHXKGSZTGKJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClNO2/c17-13-3-1-2-11-12(8-14(20)21)15(19-16(11)13)9-4-6-10(18)7-5-9/h1-7,19H,8H2,(H,20,21).
What are the key properties of 2-[7-bromo-2-(4-chlorophenyl)-1H-indol-3-yl]acetic acid?
2-[7-bromo-2-(4-chlorophenyl)-1H-indol-3-yl]acetic acid has a molecular weight of 364.63 g/mol, XLogP of 4.88, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-bromo-2-(4-chlorophenyl)-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 43542803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).