3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindole-2-carboxylic acid

C23H17F2NO2 — CID 25226741

IUPAC3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindole-2-carboxylic acid
SMILESCc1ccc2c(c1)c(-c1ccccc1F)c(C(=O)O)n2Cc1ccccc1F
InChIInChI=1S/C23H17F2NO2/c1-14-10-11-20-17(12-14)21(16-7-3-5-9-19(16)25)22(23(27)28)26(20)13-15-6-2-4-8-18(15)24/h2-12H,13H2,1H3,(H,27,28)
InChIKeyXXPIJSLATBWFKV-UHFFFAOYSA-N
MW377.39 g/mol
LogP5.64
Rot. Bonds4

About 3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindole-2-carboxylic acid

3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindole-2-carboxylic acid (PubChem CID 25226741) has the molecular formula C23H17F2NO2 and a molecular weight of 377.39 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindole-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindole-2-carboxylic acid
PubChem CID25226741
Molecular FormulaC23H17F2NO2
Molecular Weight377.39 g/mol
Exact Mass377.12
IUPAC Name3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindole-2-carboxylic acid
SMILESCc1ccc2c(c1)c(-c1ccccc1F)c(C(=O)O)n2Cc1ccccc1F
InChIInChI=1S/C23H17F2NO2/c1-14-10-11-20-17(12-14)21(16-7-3-5-9-19(16)25)22(23(27)28)26(20)13-15-6-2-4-8-18(15)24/h2-12H,13H2,1H3,(H,27,28)
InChIKeyXXPIJSLATBWFKV-UHFFFAOYSA-N
XLogP5.64
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.39
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindole-2-carboxylic acid?
The IUPAC name of 3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindole-2-carboxylic acid (CID 25226741) is 3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindole-2-carboxylic acid.
What is the SMILES notation for 3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindole-2-carboxylic acid?
The canonical SMILES for 3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindole-2-carboxylic acid is Cc1ccc2c(c1)c(-c1ccccc1F)c(C(=O)O)n2Cc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindole-2-carboxylic acid?
The InChIKey is XXPIJSLATBWFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2NO2/c1-14-10-11-20-17(12-14)21(16-7-3-5-9-19(16)25)22(23(27)28)26(20)13-15-6-2-4-8-18(15)24/h2-12H,13H2,1H3,(H,27,28).
What are the key properties of 3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindole-2-carboxylic acid?
3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindole-2-carboxylic acid has a molecular weight of 377.39 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-[(2-fluorophenyl)methyl]-5-methylindole-2-carboxylic acid is sourced from PubChem (CID 25226741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).