5-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1-benzofuran-2-carboxamide

C18H16FNO3 — CID 111696357

About 5-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1-benzofuran-2-carboxamide

5-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 111696357) has the molecular formula C18H16FNO3 and a molecular weight of 313.33 g/mol. Its IUPAC name is 5-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 5-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
• PubChem CID: 111696357
• Molecular Formula: C18H16FNO3
• Molecular Weight: 313.33 g/mol
• Exact Mass: 313.11
• IUPAC Name: 5-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
• SMILES: O=C(NC1c2ccccc2CC1O)C1Cc2cc(F)ccc2O1
• InChI: InChI=1S/C18H16FNO3/c19-12-5-6-15-11(7-12)9-16(23-15)18(22)20-17-13-4-2-1-3-10(13)8-14(17)21/h1-7,14,16-17,21H,8-9H2,(H,20,22)
• InChIKey: LNUAUCWXMUJINK-UHFFFAOYSA-N
• XLogP: 1.90
• TPSA: 58.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	313.33
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?

The IUPAC name of 5-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 111696357) is 5-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.

What is the SMILES notation for 5-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?

The canonical SMILES for 5-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(NC1c2ccccc2CC1O)C1Cc2cc(F)ccc2O1.

What is the InChIKey of 5-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?

The InChIKey is LNUAUCWXMUJINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3/c19-12-5-6-15-11(7-12)9-16(23-15)18(22)20-17-13-4-2-1-3-10(13)8-14(17)21/h1-7,14,16-17,21H,8-9H2,(H,20,22).

What are the key properties of 5-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?

5-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 313.33 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 111696357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).