[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate

C21H19F2NO4 — CID 8567498

About [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate

[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate (PubChem CID 8567498) has the molecular formula C21H19F2NO4 and a molecular weight of 387.38 g/mol. Its IUPAC name is [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

• Compound Name: [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
• PubChem CID: 8567498
• Molecular Formula: C21H19F2NO4
• Molecular Weight: 387.38 g/mol
• Exact Mass: 387.13
• IUPAC Name: [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
• SMILES: CCN(Cc1cccc(F)c1)C(=O)COC(=O)c1oc2c(F)cccc2c1C
• InChI: InChI=1S/C21H19F2NO4/c1-3-24(11-14-6-4-7-15(22)10-14)18(25)12-27-21(26)19-13(2)16-8-5-9-17(23)20(16)28-19/h4-10H,3,11-12H2,1-2H3
• InChIKey: QXZWLPLBRQYQTD-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 59.75 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.38
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate?

The IUPAC name of [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate (CID 8567498) is [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate.

What is the SMILES notation for [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate?

The canonical SMILES for [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate is CCN(Cc1cccc(F)c1)C(=O)COC(=O)c1oc2c(F)cccc2c1C.

What is the InChIKey of [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate?

The InChIKey is QXZWLPLBRQYQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2NO4/c1-3-24(11-14-6-4-7-15(22)10-14)18(25)12-27-21(26)19-13(2)16-8-5-9-17(23)20(16)28-19/h4-10H,3,11-12H2,1-2H3.

What are the key properties of [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate?

[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 387.38 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 8567498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).