2-[1-(4-chlorobenzoyl)-5-fluoroindol-3-yl]acetic acid

C17H11ClFNO3 — CID 71523525

IUPAC2-[1-(4-chlorobenzoyl)-5-fluoroindol-3-yl]acetic acid
SMILESO=C(O)Cc1cn(C(=O)c2ccc(Cl)cc2)c2ccc(F)cc12
InChIInChI=1S/C17H11ClFNO3/c18-12-3-1-10(2-4-12)17(23)20-9-11(7-16(21)22)14-8-13(19)5-6-15(14)20/h1-6,8-9H,7H2,(H,21,22)
InChIKeyJLMRALWEBVVSBY-UHFFFAOYSA-N
MW331.73 g/mol
LogP3.75
Rot. Bonds3

About 2-[1-(4-chlorobenzoyl)-5-fluoroindol-3-yl]acetic acid

2-[1-(4-chlorobenzoyl)-5-fluoroindol-3-yl]acetic acid (PubChem CID 71523525) has the molecular formula C17H11ClFNO3 and a molecular weight of 331.73 g/mol. Its IUPAC name is 2-[1-(4-chlorobenzoyl)-5-fluoroindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-chlorobenzoyl)-5-fluoroindol-3-yl]acetic acid
PubChem CID71523525
Molecular FormulaC17H11ClFNO3
Molecular Weight331.73 g/mol
Exact Mass331.04
IUPAC Name2-[1-(4-chlorobenzoyl)-5-fluoroindol-3-yl]acetic acid
SMILESO=C(O)Cc1cn(C(=O)c2ccc(Cl)cc2)c2ccc(F)cc12
InChIInChI=1S/C17H11ClFNO3/c18-12-3-1-10(2-4-12)17(23)20-9-11(7-16(21)22)14-8-13(19)5-6-15(14)20/h1-6,8-9H,7H2,(H,21,22)
InChIKeyJLMRALWEBVVSBY-UHFFFAOYSA-N
XLogP3.75
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.73
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorobenzoyl)-5-fluoroindol-3-yl]acetic acid?
The IUPAC name of 2-[1-(4-chlorobenzoyl)-5-fluoroindol-3-yl]acetic acid (CID 71523525) is 2-[1-(4-chlorobenzoyl)-5-fluoroindol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-chlorobenzoyl)-5-fluoroindol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(4-chlorobenzoyl)-5-fluoroindol-3-yl]acetic acid is O=C(O)Cc1cn(C(=O)c2ccc(Cl)cc2)c2ccc(F)cc12.
What is the InChIKey of 2-[1-(4-chlorobenzoyl)-5-fluoroindol-3-yl]acetic acid?
The InChIKey is JLMRALWEBVVSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFNO3/c18-12-3-1-10(2-4-12)17(23)20-9-11(7-16(21)22)14-8-13(19)5-6-15(14)20/h1-6,8-9H,7H2,(H,21,22).
What are the key properties of 2-[1-(4-chlorobenzoyl)-5-fluoroindol-3-yl]acetic acid?
2-[1-(4-chlorobenzoyl)-5-fluoroindol-3-yl]acetic acid has a molecular weight of 331.73 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorobenzoyl)-5-fluoroindol-3-yl]acetic acid is sourced from PubChem (CID 71523525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).