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

C16H11Cl2NO2 — CID 4262211

IUPAC2-[7-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]acetic acid
SMILESO=C(O)Cc1c(-c2ccc(Cl)cc2)[nH]c2c(Cl)cccc12
InChIInChI=1S/C16H11Cl2NO2/c17-10-6-4-9(5-7-10)15-12(8-14(20)21)11-2-1-3-13(18)16(11)19-15/h1-7,19H,8H2,(H,20,21)
InChIKeyVZLGCQWRIAYEEP-UHFFFAOYSA-N
MW320.18 g/mol
LogP4.77
Rot. Bonds3

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

2-[7-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]acetic acid (PubChem CID 4262211) has the molecular formula C16H11Cl2NO2 and a molecular weight of 320.18 g/mol. Its IUPAC name is 2-[7-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[7-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]acetic acid
PubChem CID4262211
Molecular FormulaC16H11Cl2NO2
Molecular Weight320.18 g/mol
Exact Mass319.02
IUPAC Name2-[7-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]acetic acid
SMILESO=C(O)Cc1c(-c2ccc(Cl)cc2)[nH]c2c(Cl)cccc12
InChIInChI=1S/C16H11Cl2NO2/c17-10-6-4-9(5-7-10)15-12(8-14(20)21)11-2-1-3-13(18)16(11)19-15/h1-7,19H,8H2,(H,20,21)
InChIKeyVZLGCQWRIAYEEP-UHFFFAOYSA-N
XLogP4.77
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[7-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[7-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]acetic acid (CID 4262211) is 2-[7-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[7-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[7-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]acetic acid is O=C(O)Cc1c(-c2ccc(Cl)cc2)[nH]c2c(Cl)cccc12.
What is the InChIKey of 2-[7-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]acetic acid?
The InChIKey is VZLGCQWRIAYEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO2/c17-10-6-4-9(5-7-10)15-12(8-14(20)21)11-2-1-3-13(18)16(11)19-15/h1-7,19H,8H2,(H,20,21).
What are the key properties of 2-[7-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]acetic acid?
2-[7-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]acetic acid has a molecular weight of 320.18 g/mol, XLogP of 4.77, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 4262211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).