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

C31H25ClFNO4 — CID 59335856

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

5-(4-chlorophenyl)-2-[[2-[4-[(3-fluorophenyl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 59335856) has the molecular formula C31H25ClFNO4 and a molecular weight of 530.00 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-[[2-[4-[(3-fluorophenyl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-(4-chlorophenyl)-2-[[2-[4-[(3-fluorophenyl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid
• PubChem CID: 59335856
• Molecular Formula: C31H25ClFNO4
• Molecular Weight: 530.00 g/mol
• Exact Mass: 529.15
• IUPAC Name: 5-(4-chlorophenyl)-2-[[2-[4-[(3-fluorophenyl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid
• SMILES: O=C(Cc1ccc(OCc2cccc(F)c2)cc1)NC1(C(=O)O)Cc2ccc(-c3ccc(Cl)cc3)cc2C1
• InChI: InChI=1S/C31H25ClFNO4/c32-26-10-8-22(9-11-26)23-6-7-24-17-31(30(36)37,18-25(24)16-23)34-29(35)15-20-4-12-28(13-5-20)38-19-21-2-1-3-27(33)14-21/h1-14,16H,15,17-19H2,(H,34,35)(H,36,37)
• InChIKey: XJRKJGLXOWHRFC-UHFFFAOYSA-N
• XLogP: 6.01
• TPSA: 75.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.00
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-[[2-[4-[(3-fluorophenyl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid?

The IUPAC name of 5-(4-chlorophenyl)-2-[[2-[4-[(3-fluorophenyl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid (CID 59335856) is 5-(4-chlorophenyl)-2-[[2-[4-[(3-fluorophenyl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid.

What is the SMILES notation for 5-(4-chlorophenyl)-2-[[2-[4-[(3-fluorophenyl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid?

The canonical SMILES for 5-(4-chlorophenyl)-2-[[2-[4-[(3-fluorophenyl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid is O=C(Cc1ccc(OCc2cccc(F)c2)cc1)NC1(C(=O)O)Cc2ccc(-c3ccc(Cl)cc3)cc2C1.

What is the InChIKey of 5-(4-chlorophenyl)-2-[[2-[4-[(3-fluorophenyl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid?

The InChIKey is XJRKJGLXOWHRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25ClFNO4/c32-26-10-8-22(9-11-26)23-6-7-24-17-31(30(36)37,18-25(24)16-23)34-29(35)15-20-4-12-28(13-5-20)38-19-21-2-1-3-27(33)14-21/h1-14,16H,15,17-19H2,(H,34,35)(H,36,37).

What are the key properties of 5-(4-chlorophenyl)-2-[[2-[4-[(3-fluorophenyl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid?

5-(4-chlorophenyl)-2-[[2-[4-[(3-fluorophenyl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 530.00 g/mol, XLogP of 6.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chlorophenyl)-2-[[2-[4-[(3-fluorophenyl)methoxy]phenyl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 59335856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).