[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate

C21H16FNO5 — CID 8567574

About [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate

[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate (PubChem CID 8567574) has the molecular formula C21H16FNO5 and a molecular weight of 381.36 g/mol. Its IUPAC name is [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

• Compound Name: [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
• PubChem CID: 8567574
• Molecular Formula: C21H16FNO5
• Molecular Weight: 381.36 g/mol
• Exact Mass: 381.10
• IUPAC Name: [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
• SMILES: Cc1c(C(=O)OCC(=O)c2ccc3c(c2)[C@H](C)C(=O)N3)oc2c(F)cccc12
• InChI: InChI=1S/C21H16FNO5/c1-10-13-4-3-5-15(22)19(13)28-18(10)21(26)27-9-17(24)12-6-7-16-14(8-12)11(2)20(25)23-16/h3-8,11H,9H2,1-2H3,(H,23,25)/t11-/m0/s1
• InChIKey: GXKQQPLURLHUEV-NSHDSACASA-N
• XLogP: 3.98
• TPSA: 85.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.36
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate?

The IUPAC name of [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate (CID 8567574) is [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate.

What is the SMILES notation for [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate?

The canonical SMILES for [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate is Cc1c(C(=O)OCC(=O)c2ccc3c(c2)[C@H](C)C(=O)N3)oc2c(F)cccc12.

What is the InChIKey of [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate?

The InChIKey is GXKQQPLURLHUEV-NSHDSACASA-N. The full InChI is InChI=1S/C21H16FNO5/c1-10-13-4-3-5-15(22)19(13)28-18(10)21(26)27-9-17(24)12-6-7-16-14(8-12)11(2)20(25)23-16/h3-8,11H,9H2,1-2H3,(H,23,25)/t11-/m0/s1.

What are the key properties of [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate?

[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 381.36 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 8567574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).