2-[5-tert-butyl-2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid

C20H20FNO2 — CID 3679279

IUPAC2-[5-tert-butyl-2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid
SMILESCC(C)(C)c1ccc2[nH]c(-c3ccc(F)cc3)c(CC(=O)O)c2c1
InChIInChI=1S/C20H20FNO2/c1-20(2,3)13-6-9-17-15(10-13)16(11-18(23)24)19(22-17)12-4-7-14(21)8-5-12/h4-10,22H,11H2,1-3H3,(H,23,24)
InChIKeyOVGYMRDWLBHWDV-UHFFFAOYSA-N
MW325.38 g/mol
LogP4.90
Rot. Bonds3

About 2-[5-tert-butyl-2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid

2-[5-tert-butyl-2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid (PubChem CID 3679279) has the molecular formula C20H20FNO2 and a molecular weight of 325.38 g/mol. Its IUPAC name is 2-[5-tert-butyl-2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-tert-butyl-2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid
PubChem CID3679279
Molecular FormulaC20H20FNO2
Molecular Weight325.38 g/mol
Exact Mass325.15
IUPAC Name2-[5-tert-butyl-2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid
SMILESCC(C)(C)c1ccc2[nH]c(-c3ccc(F)cc3)c(CC(=O)O)c2c1
InChIInChI=1S/C20H20FNO2/c1-20(2,3)13-6-9-17-15(10-13)16(11-18(23)24)19(22-17)12-4-7-14(21)8-5-12/h4-10,22H,11H2,1-3H3,(H,23,24)
InChIKeyOVGYMRDWLBHWDV-UHFFFAOYSA-N
XLogP4.90
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2-[5-tert-butyl-2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[5-tert-butyl-2-(4-ethoxyphenyl)-1H-indol-3-yl]acetic acid
CID 5236278
2-[5-ethyl-2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid
CID 5212090
3-(carboxymethyl)-2-[4-(trifluoromethyl)phenyl]-1H-indole-5-carboxylic acid
CID 3956737
2-[3-(4-aminobutyl)-2-(4-tert-butylphenyl)-1H-indol-5-yl]acetic acid
CID 3972903
2-[5-tert-butyl-2-(5-chloro-2-methoxyphenyl)-1H-indol-3-yl]acetic acid
CID 3537628
2-[2-methyl-5-(trifluoromethyl)-1H-indol-3-yl]acetic acid
CID 22490524
2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid;piperidine
CID 161400298
2-[5-ethyl-2-(4-methylsulfanylphenyl)-1H-indol-3-yl]acetic acid
CID 3936804
2-[2-(3-ethoxy-4-methoxyphenyl)-5-fluoro-1H-indol-3-yl]acetic acid
CID 3572668
2-(5-fluoro-2-phenyl-1H-indol-3-yl)acetamide
CID 152609120
2-[2-(4-chlorophenyl)-5-iodo-1H-indol-3-yl]acetic acid
CID 3994534
2-[2-(5-bromo-2-ethoxyphenyl)-5-tert-butyl-1H-indol-3-yl]acetic acid
CID 3309345

Frequently Asked Questions

What is the IUPAC name of 2-[5-tert-butyl-2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[5-tert-butyl-2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid (CID 3679279) is 2-[5-tert-butyl-2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-tert-butyl-2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[5-tert-butyl-2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid is CC(C)(C)c1ccc2[nH]c(-c3ccc(F)cc3)c(CC(=O)O)c2c1.
What is the InChIKey of 2-[5-tert-butyl-2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid?
The InChIKey is OVGYMRDWLBHWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO2/c1-20(2,3)13-6-9-17-15(10-13)16(11-18(23)24)19(22-17)12-4-7-14(21)8-5-12/h4-10,22H,11H2,1-3H3,(H,23,24).
What are the key properties of 2-[5-tert-butyl-2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid?
2-[5-tert-butyl-2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid has a molecular weight of 325.38 g/mol, XLogP of 4.90, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-tert-butyl-2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 3679279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).