2-[[3-[2-(2-fluorophenyl)-2-hydroxyethoxy]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid

C26H24FNO6 — CID 67076742

IUPAC2-[[3-[2-(2-fluorophenyl)-2-hydroxyethoxy]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
SMILESCOc1ccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)cc1OCC(O)c1ccccc1F
InChIInChI=1S/C26H24FNO6/c1-33-22-11-10-16(12-23(22)34-15-21(29)19-8-4-5-9-20(19)27)24(30)28-26(25(31)32)13-17-6-2-3-7-18(17)14-26/h2-12,21,29H,13-15H2,1H3,(H,28,30)(H,31,32)
InChIKeyFGKVVUUPVUAXLB-UHFFFAOYSA-N
MW465.48 g/mol
LogP3.30
Rot. Bonds8

About 2-[[3-[2-(2-fluorophenyl)-2-hydroxyethoxy]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid

2-[[3-[2-(2-fluorophenyl)-2-hydroxyethoxy]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 67076742) has the molecular formula C26H24FNO6 and a molecular weight of 465.48 g/mol. Its IUPAC name is 2-[[3-[2-(2-fluorophenyl)-2-hydroxyethoxy]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[[3-[2-(2-fluorophenyl)-2-hydroxyethoxy]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
PubChem CID67076742
Molecular FormulaC26H24FNO6
Molecular Weight465.48 g/mol
Exact Mass465.16
IUPAC Name2-[[3-[2-(2-fluorophenyl)-2-hydroxyethoxy]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
SMILESCOc1ccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)cc1OCC(O)c1ccccc1F
InChIInChI=1S/C26H24FNO6/c1-33-22-11-10-16(12-23(22)34-15-21(29)19-8-4-5-9-20(19)27)24(30)28-26(25(31)32)13-17-6-2-3-7-18(17)14-26/h2-12,21,29H,13-15H2,1H3,(H,28,30)(H,31,32)
InChIKeyFGKVVUUPVUAXLB-UHFFFAOYSA-N
XLogP3.30
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.48
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[3-[2-(2-fluorophenyl)-2-hydroxyethoxy]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid with MolForge

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Related Compounds

2-[[3-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 67076670
2-[[4-methoxy-3-[2-(3-methylcyclohexyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 67076784
1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43351057
2-(4-ethyl-2-methoxyphenoxy)-1-(2-fluorophenyl)ethanol
CID 103865817
2-[[4-methoxy-3-[(3-methylphenyl)methyl]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 67076698
1-[5-[2-(2-fluorophenyl)-2-hydroxyethoxy]-2-methoxyphenyl]ethanone
CID 110017843
1-[(3-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxylic acid
CID 120538673
4,7-difluoro-2-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 67076632
methyl 2-[(3-hydroxy-4-methoxybenzoyl)amino]-1,3-dihydroindene-2-carboxylate
CID 67076518
4-[(3-fluoro-4-methoxybenzoyl)amino]oxane-4-carboxylic acid
CID 115291543
5-methoxy-2-[[4-methoxy-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 67076274
(3S)-3-[(3-ethoxy-4-methoxybenzoyl)amino]thiolane-3-carboxylic acid
CID 125147917

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-(2-fluorophenyl)-2-hydroxyethoxy]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[[3-[2-(2-fluorophenyl)-2-hydroxyethoxy]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid (CID 67076742) is 2-[[3-[2-(2-fluorophenyl)-2-hydroxyethoxy]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[[3-[2-(2-fluorophenyl)-2-hydroxyethoxy]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[[3-[2-(2-fluorophenyl)-2-hydroxyethoxy]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid is COc1ccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)cc1OCC(O)c1ccccc1F.
What is the InChIKey of 2-[[3-[2-(2-fluorophenyl)-2-hydroxyethoxy]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is FGKVVUUPVUAXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FNO6/c1-33-22-11-10-16(12-23(22)34-15-21(29)19-8-4-5-9-20(19)27)24(30)28-26(25(31)32)13-17-6-2-3-7-18(17)14-26/h2-12,21,29H,13-15H2,1H3,(H,28,30)(H,31,32).
What are the key properties of 2-[[3-[2-(2-fluorophenyl)-2-hydroxyethoxy]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid?
2-[[3-[2-(2-fluorophenyl)-2-hydroxyethoxy]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 465.48 g/mol, XLogP of 3.30, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[2-(2-fluorophenyl)-2-hydroxyethoxy]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 67076742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).