N-[1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide

C18H21FN2O4 — CID 110015471

About N-[1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide

N-[1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide (PubChem CID 110015471) has the molecular formula C18H21FN2O4 and a molecular weight of 348.37 g/mol. Its IUPAC name is N-[1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
• PubChem CID: 110015471
• Molecular Formula: C18H21FN2O4
• Molecular Weight: 348.37 g/mol
• Exact Mass: 348.15
• IUPAC Name: N-[1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
• SMILES: Cc1c(CNC(=O)C(NC(=O)C2CC2)C(C)O)oc2ccc(F)cc12
• InChI: InChI=1S/C18H21FN2O4/c1-9-13-7-12(19)5-6-14(13)25-15(9)8-20-18(24)16(10(2)22)21-17(23)11-3-4-11/h5-7,10-11,16,22H,3-4,8H2,1-2H3,(H,20,24)(H,21,23)
• InChIKey: RQHLSVGPXMWUCY-UHFFFAOYSA-N
• XLogP: 1.77
• TPSA: 91.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.37
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?

The IUPAC name of N-[1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide (CID 110015471) is N-[1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide is Cc1c(CNC(=O)C(NC(=O)C2CC2)C(C)O)oc2ccc(F)cc12.

What is the InChIKey of N-[1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?

The InChIKey is RQHLSVGPXMWUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4/c1-9-13-7-12(19)5-6-14(13)25-15(9)8-20-18(24)16(10(2)22)21-17(23)11-3-4-11/h5-7,10-11,16,22H,3-4,8H2,1-2H3,(H,20,24)(H,21,23).

What are the key properties of N-[1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?

N-[1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide has a molecular weight of 348.37 g/mol, XLogP of 1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 110015471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).