(2S)-2-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-3H-1-benzofuran-5-carboxamide

C20H22FNO4 — CID 125010726

About (2S)-2-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-3H-1-benzofuran-5-carboxamide

(2S)-2-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-3H-1-benzofuran-5-carboxamide (PubChem CID 125010726) has the molecular formula C20H22FNO4 and a molecular weight of 359.40 g/mol. Its IUPAC name is (2S)-2-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-3H-1-benzofuran-5-carboxamide.

Molecular Properties

• Compound Name: (2S)-2-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-3H-1-benzofuran-5-carboxamide
• PubChem CID: 125010726
• Molecular Formula: C20H22FNO4
• Molecular Weight: 359.40 g/mol
• Exact Mass: 359.15
• IUPAC Name: (2S)-2-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-3H-1-benzofuran-5-carboxamide
• SMILES: COc1cc(C(=O)NCCO)cc2c1O[C@](C)(Cc1ccccc1F)C2
• InChI: InChI=1S/C20H22FNO4/c1-20(11-13-5-3-4-6-16(13)21)12-15-9-14(19(24)22-7-8-23)10-17(25-2)18(15)26-20/h3-6,9-10,23H,7-8,11-12H2,1-2H3,(H,22,24)/t20-/m1/s1
• InChIKey: VLGNQYRMMQUFOD-HXUWFJFHSA-N
• XLogP: 2.49
• TPSA: 67.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.40
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-3H-1-benzofuran-5-carboxamide?

The IUPAC name of (2S)-2-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-3H-1-benzofuran-5-carboxamide (CID 125010726) is (2S)-2-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-3H-1-benzofuran-5-carboxamide.

What is the SMILES notation for (2S)-2-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-3H-1-benzofuran-5-carboxamide?

The canonical SMILES for (2S)-2-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-3H-1-benzofuran-5-carboxamide is COc1cc(C(=O)NCCO)cc2c1O[C@](C)(Cc1ccccc1F)C2.

What is the InChIKey of (2S)-2-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-3H-1-benzofuran-5-carboxamide?

The InChIKey is VLGNQYRMMQUFOD-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H22FNO4/c1-20(11-13-5-3-4-6-16(13)21)12-15-9-14(19(24)22-7-8-23)10-17(25-2)18(15)26-20/h3-6,9-10,23H,7-8,11-12H2,1-2H3,(H,22,24)/t20-/m1/s1.

What are the key properties of (2S)-2-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-3H-1-benzofuran-5-carboxamide?

(2S)-2-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-3H-1-benzofuran-5-carboxamide has a molecular weight of 359.40 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-7-methoxy-2-methyl-3H-1-benzofuran-5-carboxamide is sourced from PubChem (CID 125010726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).