2-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid

C20H18FNO3 — CID 167958360

About 2-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid

2-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 167958360) has the molecular formula C20H18FNO3 and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

• Compound Name: 2-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
• PubChem CID: 167958360
• Molecular Formula: C20H18FNO3
• Molecular Weight: 339.37 g/mol
• Exact Mass: 339.13
• IUPAC Name: 2-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
• SMILES: Cc1c(CNC2Cc3ccc(C(=O)O)cc3C2)oc2ccc(F)cc12
• InChI: InChI=1S/C20H18FNO3/c1-11-17-9-15(21)4-5-18(17)25-19(11)10-22-16-7-12-2-3-13(20(23)24)6-14(12)8-16/h2-6,9,16,22H,7-8,10H2,1H3,(H,23,24)
• InChIKey: FFKPWNXJIUNZIX-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 62.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.37
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid?

The IUPAC name of 2-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid (CID 167958360) is 2-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid.

What is the SMILES notation for 2-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid?

The canonical SMILES for 2-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid is Cc1c(CNC2Cc3ccc(C(=O)O)cc3C2)oc2ccc(F)cc12.

What is the InChIKey of 2-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid?

The InChIKey is FFKPWNXJIUNZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO3/c1-11-17-9-15(21)4-5-18(17)25-19(11)10-22-16-7-12-2-3-13(20(23)24)6-14(12)8-16/h2-6,9,16,22H,7-8,10H2,1H3,(H,23,24).

What are the key properties of 2-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid?

2-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 339.37 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 167958360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).