5-[[2-(3-fluorophenyl)-5-methoxyindol-1-yl]methyl]furan-2-carboxylic acid

C21H16FNO4 — CID 50907866

IUPAC5-[[2-(3-fluorophenyl)-5-methoxyindol-1-yl]methyl]furan-2-carboxylic acid
SMILESCOc1ccc2c(c1)cc(-c1cccc(F)c1)n2Cc1ccc(C(=O)O)o1
InChIInChI=1S/C21H16FNO4/c1-26-16-5-7-18-14(10-16)11-19(13-3-2-4-15(22)9-13)23(18)12-17-6-8-20(27-17)21(24)25/h2-11H,12H2,1H3,(H,24,25)
InChIKeyQKUJAACEYCIDRJ-UHFFFAOYSA-N
MW365.36 g/mol
LogP4.80
Rot. Bonds5

About 5-[[2-(3-fluorophenyl)-5-methoxyindol-1-yl]methyl]furan-2-carboxylic acid

5-[[2-(3-fluorophenyl)-5-methoxyindol-1-yl]methyl]furan-2-carboxylic acid (PubChem CID 50907866) has the molecular formula C21H16FNO4 and a molecular weight of 365.36 g/mol. Its IUPAC name is 5-[[2-(3-fluorophenyl)-5-methoxyindol-1-yl]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(3-fluorophenyl)-5-methoxyindol-1-yl]methyl]furan-2-carboxylic acid
PubChem CID50907866
Molecular FormulaC21H16FNO4
Molecular Weight365.36 g/mol
Exact Mass365.11
IUPAC Name5-[[2-(3-fluorophenyl)-5-methoxyindol-1-yl]methyl]furan-2-carboxylic acid
SMILESCOc1ccc2c(c1)cc(-c1cccc(F)c1)n2Cc1ccc(C(=O)O)o1
InChIInChI=1S/C21H16FNO4/c1-26-16-5-7-18-14(10-16)11-19(13-3-2-4-15(22)9-13)23(18)12-17-6-8-20(27-17)21(24)25/h2-11H,12H2,1H3,(H,24,25)
InChIKeyQKUJAACEYCIDRJ-UHFFFAOYSA-N
XLogP4.80
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[2-(3-fluorophenyl)-5-methoxyindol-1-yl]methyl]furan-2-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3-fluorophenyl)-5-methoxyindol-1-yl]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[2-(3-fluorophenyl)-5-methoxyindol-1-yl]methyl]furan-2-carboxylic acid (CID 50907866) is 5-[[2-(3-fluorophenyl)-5-methoxyindol-1-yl]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(3-fluorophenyl)-5-methoxyindol-1-yl]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[2-(3-fluorophenyl)-5-methoxyindol-1-yl]methyl]furan-2-carboxylic acid is COc1ccc2c(c1)cc(-c1cccc(F)c1)n2Cc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[[2-(3-fluorophenyl)-5-methoxyindol-1-yl]methyl]furan-2-carboxylic acid?
The InChIKey is QKUJAACEYCIDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO4/c1-26-16-5-7-18-14(10-16)11-19(13-3-2-4-15(22)9-13)23(18)12-17-6-8-20(27-17)21(24)25/h2-11H,12H2,1H3,(H,24,25).
What are the key properties of 5-[[2-(3-fluorophenyl)-5-methoxyindol-1-yl]methyl]furan-2-carboxylic acid?
5-[[2-(3-fluorophenyl)-5-methoxyindol-1-yl]methyl]furan-2-carboxylic acid has a molecular weight of 365.36 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3-fluorophenyl)-5-methoxyindol-1-yl]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 50907866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).