3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide

C18H21FN2O2 — CID 119754051

About 3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119754051) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
• PubChem CID: 119754051
• Molecular Formula: C18H21FN2O2
• Molecular Weight: 316.38 g/mol
• Exact Mass: 316.16
• IUPAC Name: 3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
• SMILES: Cc1c(CNC(=O)C2C3CCC(C3)C2N)oc2ccc(F)cc12
• InChI: InChI=1S/C18H21FN2O2/c1-9-13-7-12(19)4-5-14(13)23-15(9)8-21-18(22)16-10-2-3-11(6-10)17(16)20/h4-5,7,10-11,16-17H,2-3,6,8,20H2,1H3,(H,21,22)
• InChIKey: FTIHMBXOSGNSPC-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 68.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	316.38
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?

The IUPAC name of 3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119754051) is 3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide.

What is the SMILES notation for 3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?

The canonical SMILES for 3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide is Cc1c(CNC(=O)C2C3CCC(C3)C2N)oc2ccc(F)cc12.

What is the InChIKey of 3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?

The InChIKey is FTIHMBXOSGNSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-9-13-7-12(19)4-5-14(13)23-15(9)8-21-18(22)16-10-2-3-11(6-10)17(16)20/h4-5,7,10-11,16-17H,2-3,6,8,20H2,1H3,(H,21,22).

What are the key properties of 3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?

3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119754051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).