2-(2-chloro-4-fluorophenyl)-2-(5-chloroindol-1-yl)acetic acid

C16H10Cl2FNO2 — CID 70561534

IUPAC2-(2-chloro-4-fluorophenyl)-2-(5-chloroindol-1-yl)acetic acid
SMILESO=C(O)C(c1ccc(F)cc1Cl)n1ccc2cc(Cl)ccc21
InChIInChI=1S/C16H10Cl2FNO2/c17-10-1-4-14-9(7-10)5-6-20(14)15(16(21)22)12-3-2-11(19)8-13(12)18/h1-8,15H,(H,21,22)
InChIKeyZPBXBBYUJSMGSQ-UHFFFAOYSA-N
MW338.17 g/mol
LogP4.76
Rot. Bonds3

About 2-(2-chloro-4-fluorophenyl)-2-(5-chloroindol-1-yl)acetic acid

2-(2-chloro-4-fluorophenyl)-2-(5-chloroindol-1-yl)acetic acid (PubChem CID 70561534) has the molecular formula C16H10Cl2FNO2 and a molecular weight of 338.17 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-2-(5-chloroindol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-2-(5-chloroindol-1-yl)acetic acid
PubChem CID70561534
Molecular FormulaC16H10Cl2FNO2
Molecular Weight338.17 g/mol
Exact Mass337.01
IUPAC Name2-(2-chloro-4-fluorophenyl)-2-(5-chloroindol-1-yl)acetic acid
SMILESO=C(O)C(c1ccc(F)cc1Cl)n1ccc2cc(Cl)ccc21
InChIInChI=1S/C16H10Cl2FNO2/c17-10-1-4-14-9(7-10)5-6-20(14)15(16(21)22)12-3-2-11(19)8-13(12)18/h1-8,15H,(H,21,22)
InChIKeyZPBXBBYUJSMGSQ-UHFFFAOYSA-N
XLogP4.76
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.17
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-2-(5-chloroindol-1-yl)acetic acid?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-2-(5-chloroindol-1-yl)acetic acid (CID 70561534) is 2-(2-chloro-4-fluorophenyl)-2-(5-chloroindol-1-yl)acetic acid.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-2-(5-chloroindol-1-yl)acetic acid?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-2-(5-chloroindol-1-yl)acetic acid is O=C(O)C(c1ccc(F)cc1Cl)n1ccc2cc(Cl)ccc21.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-2-(5-chloroindol-1-yl)acetic acid?
The InChIKey is ZPBXBBYUJSMGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2FNO2/c17-10-1-4-14-9(7-10)5-6-20(14)15(16(21)22)12-3-2-11(19)8-13(12)18/h1-8,15H,(H,21,22).
What are the key properties of 2-(2-chloro-4-fluorophenyl)-2-(5-chloroindol-1-yl)acetic acid?
2-(2-chloro-4-fluorophenyl)-2-(5-chloroindol-1-yl)acetic acid has a molecular weight of 338.17 g/mol, XLogP of 4.76, 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-(5-chloroindol-1-yl)acetic acid is sourced from PubChem (CID 70561534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).