2-[[2-(4-fluorophenyl)acetyl]amino]-5-(4-methylphenyl)-1,3-dihydroindene-2-carboxylic acid

C25H22FNO3 — CID 59335689

IUPAC2-[[2-(4-fluorophenyl)acetyl]amino]-5-(4-methylphenyl)-1,3-dihydroindene-2-carboxylic acid
SMILESCc1ccc(-c2ccc3c(c2)CC(NC(=O)Cc2ccc(F)cc2)(C(=O)O)C3)cc1
InChIInChI=1S/C25H22FNO3/c1-16-2-6-18(7-3-16)19-8-9-20-14-25(24(29)30,15-21(20)13-19)27-23(28)12-17-4-10-22(26)11-5-17/h2-11,13H,12,14-15H2,1H3,(H,27,28)(H,29,30)
InChIKeyFNPVNPAREZJGGH-UHFFFAOYSA-N
MW403.45 g/mol
LogP4.08
Rot. Bonds5

About 2-[[2-(4-fluorophenyl)acetyl]amino]-5-(4-methylphenyl)-1,3-dihydroindene-2-carboxylic acid

2-[[2-(4-fluorophenyl)acetyl]amino]-5-(4-methylphenyl)-1,3-dihydroindene-2-carboxylic acid (PubChem CID 59335689) has the molecular formula C25H22FNO3 and a molecular weight of 403.45 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)acetyl]amino]-5-(4-methylphenyl)-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)acetyl]amino]-5-(4-methylphenyl)-1,3-dihydroindene-2-carboxylic acid
PubChem CID59335689
Molecular FormulaC25H22FNO3
Molecular Weight403.45 g/mol
Exact Mass403.16
IUPAC Name2-[[2-(4-fluorophenyl)acetyl]amino]-5-(4-methylphenyl)-1,3-dihydroindene-2-carboxylic acid
SMILESCc1ccc(-c2ccc3c(c2)CC(NC(=O)Cc2ccc(F)cc2)(C(=O)O)C3)cc1
InChIInChI=1S/C25H22FNO3/c1-16-2-6-18(7-3-16)19-8-9-20-14-25(24(29)30,15-21(20)13-19)27-23(28)12-17-4-10-22(26)11-5-17/h2-11,13H,12,14-15H2,1H3,(H,27,28)(H,29,30)
InChIKeyFNPVNPAREZJGGH-UHFFFAOYSA-N
XLogP4.08
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)acetyl]amino]-5-(4-methylphenyl)-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[[2-(4-fluorophenyl)acetyl]amino]-5-(4-methylphenyl)-1,3-dihydroindene-2-carboxylic acid (CID 59335689) is 2-[[2-(4-fluorophenyl)acetyl]amino]-5-(4-methylphenyl)-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)acetyl]amino]-5-(4-methylphenyl)-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[[2-(4-fluorophenyl)acetyl]amino]-5-(4-methylphenyl)-1,3-dihydroindene-2-carboxylic acid is Cc1ccc(-c2ccc3c(c2)CC(NC(=O)Cc2ccc(F)cc2)(C(=O)O)C3)cc1.
What is the InChIKey of 2-[[2-(4-fluorophenyl)acetyl]amino]-5-(4-methylphenyl)-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is FNPVNPAREZJGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FNO3/c1-16-2-6-18(7-3-16)19-8-9-20-14-25(24(29)30,15-21(20)13-19)27-23(28)12-17-4-10-22(26)11-5-17/h2-11,13H,12,14-15H2,1H3,(H,27,28)(H,29,30).
What are the key properties of 2-[[2-(4-fluorophenyl)acetyl]amino]-5-(4-methylphenyl)-1,3-dihydroindene-2-carboxylic acid?
2-[[2-(4-fluorophenyl)acetyl]amino]-5-(4-methylphenyl)-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 403.45 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)acetyl]amino]-5-(4-methylphenyl)-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 59335689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).