2-(2-chloro-4-fluorophenyl)-2-indol-1-ylacetic acid

C16H11ClFNO2 — CID 70560511

IUPAC2-(2-chloro-4-fluorophenyl)-2-indol-1-ylacetic acid
SMILESO=C(O)C(c1ccc(F)cc1Cl)n1ccc2ccccc21
InChIInChI=1S/C16H11ClFNO2/c17-13-9-11(18)5-6-12(13)15(16(20)21)19-8-7-10-3-1-2-4-14(10)19/h1-9,15H,(H,20,21)
InChIKeyPIZYYODZHRINAR-UHFFFAOYSA-N
MW303.72 g/mol
LogP4.11
Rot. Bonds3

About 2-(2-chloro-4-fluorophenyl)-2-indol-1-ylacetic acid

2-(2-chloro-4-fluorophenyl)-2-indol-1-ylacetic acid (PubChem CID 70560511) has the molecular formula C16H11ClFNO2 and a molecular weight of 303.72 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-2-indol-1-ylacetic acid.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-2-indol-1-ylacetic acid
PubChem CID70560511
Molecular FormulaC16H11ClFNO2
Molecular Weight303.72 g/mol
Exact Mass303.05
IUPAC Name2-(2-chloro-4-fluorophenyl)-2-indol-1-ylacetic acid
SMILESO=C(O)C(c1ccc(F)cc1Cl)n1ccc2ccccc21
InChIInChI=1S/C16H11ClFNO2/c17-13-9-11(18)5-6-12(13)15(16(20)21)19-8-7-10-3-1-2-4-14(10)19/h1-9,15H,(H,20,21)
InChIKeyPIZYYODZHRINAR-UHFFFAOYSA-N
XLogP4.11
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-chloro-4-fluorophenyl)-2-indol-1-ylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-2-indol-1-ylacetic acid?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-2-indol-1-ylacetic acid (CID 70560511) is 2-(2-chloro-4-fluorophenyl)-2-indol-1-ylacetic acid.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-2-indol-1-ylacetic acid?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-2-indol-1-ylacetic acid is O=C(O)C(c1ccc(F)cc1Cl)n1ccc2ccccc21.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-2-indol-1-ylacetic acid?
The InChIKey is PIZYYODZHRINAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO2/c17-13-9-11(18)5-6-12(13)15(16(20)21)19-8-7-10-3-1-2-4-14(10)19/h1-9,15H,(H,20,21).
What are the key properties of 2-(2-chloro-4-fluorophenyl)-2-indol-1-ylacetic acid?
2-(2-chloro-4-fluorophenyl)-2-indol-1-ylacetic acid has a molecular weight of 303.72 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-2-indol-1-ylacetic acid is sourced from PubChem (CID 70560511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).