2-[5-fluoro-2-methyl-1-(naphthalen-2-ylmethyl)indol-3-yl]acetic acid

C22H18FNO2 — CID 11382433

IUPAC2-[5-fluoro-2-methyl-1-(naphthalen-2-ylmethyl)indol-3-yl]acetic acid
SMILESCc1c(CC(=O)O)c2cc(F)ccc2n1Cc1ccc2ccccc2c1
InChIInChI=1S/C22H18FNO2/c1-14-19(12-22(25)26)20-11-18(23)8-9-21(20)24(14)13-15-6-7-16-4-2-3-5-17(16)10-15/h2-11H,12-13H2,1H3,(H,25,26)
InChIKeyGHOGYZUCIXMVBX-UHFFFAOYSA-N
MW347.39 g/mol
LogP4.92
Rot. Bonds4

About 2-[5-fluoro-2-methyl-1-(naphthalen-2-ylmethyl)indol-3-yl]acetic acid

2-[5-fluoro-2-methyl-1-(naphthalen-2-ylmethyl)indol-3-yl]acetic acid (PubChem CID 11382433) has the molecular formula C22H18FNO2 and a molecular weight of 347.39 g/mol. Its IUPAC name is 2-[5-fluoro-2-methyl-1-(naphthalen-2-ylmethyl)indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-fluoro-2-methyl-1-(naphthalen-2-ylmethyl)indol-3-yl]acetic acid
PubChem CID11382433
Molecular FormulaC22H18FNO2
Molecular Weight347.39 g/mol
Exact Mass347.13
IUPAC Name2-[5-fluoro-2-methyl-1-(naphthalen-2-ylmethyl)indol-3-yl]acetic acid
SMILESCc1c(CC(=O)O)c2cc(F)ccc2n1Cc1ccc2ccccc2c1
InChIInChI=1S/C22H18FNO2/c1-14-19(12-22(25)26)20-11-18(23)8-9-21(20)24(14)13-15-6-7-16-4-2-3-5-17(16)10-15/h2-11H,12-13H2,1H3,(H,25,26)
InChIKeyGHOGYZUCIXMVBX-UHFFFAOYSA-N
XLogP4.92
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-methyl-1-(naphthalen-2-ylmethyl)indol-3-yl]acetic acid?
The IUPAC name of 2-[5-fluoro-2-methyl-1-(naphthalen-2-ylmethyl)indol-3-yl]acetic acid (CID 11382433) is 2-[5-fluoro-2-methyl-1-(naphthalen-2-ylmethyl)indol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-fluoro-2-methyl-1-(naphthalen-2-ylmethyl)indol-3-yl]acetic acid?
The canonical SMILES for 2-[5-fluoro-2-methyl-1-(naphthalen-2-ylmethyl)indol-3-yl]acetic acid is Cc1c(CC(=O)O)c2cc(F)ccc2n1Cc1ccc2ccccc2c1.
What is the InChIKey of 2-[5-fluoro-2-methyl-1-(naphthalen-2-ylmethyl)indol-3-yl]acetic acid?
The InChIKey is GHOGYZUCIXMVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO2/c1-14-19(12-22(25)26)20-11-18(23)8-9-21(20)24(14)13-15-6-7-16-4-2-3-5-17(16)10-15/h2-11H,12-13H2,1H3,(H,25,26).
What are the key properties of 2-[5-fluoro-2-methyl-1-(naphthalen-2-ylmethyl)indol-3-yl]acetic acid?
2-[5-fluoro-2-methyl-1-(naphthalen-2-ylmethyl)indol-3-yl]acetic acid has a molecular weight of 347.39 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-methyl-1-(naphthalen-2-ylmethyl)indol-3-yl]acetic acid is sourced from PubChem (CID 11382433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).