N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide

C22H17ClFNO3 — CID 19120210

About N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 19120210) has the molecular formula C22H17ClFNO3 and a molecular weight of 397.83 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide
• PubChem CID: 19120210
• Molecular Formula: C22H17ClFNO3
• Molecular Weight: 397.83 g/mol
• Exact Mass: 397.09
• IUPAC Name: N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide
• SMILES: Cc1c(C(=O)N(Cc2ccco2)Cc2c(F)cccc2Cl)oc2ccccc12
• InChI: InChI=1S/C22H17ClFNO3/c1-14-16-7-2-3-10-20(16)28-21(14)22(26)25(12-15-6-5-11-27-15)13-17-18(23)8-4-9-19(17)24/h2-11H,12-13H2,1H3
• InChIKey: GWKOIULFQXRJRW-UHFFFAOYSA-N
• XLogP: 5.97
• TPSA: 46.59 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	397.83
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide?

The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide (CID 19120210) is N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide.

What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide?

The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)N(Cc2ccco2)Cc2c(F)cccc2Cl)oc2ccccc12.

What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide?

The InChIKey is GWKOIULFQXRJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFNO3/c1-14-16-7-2-3-10-20(16)28-21(14)22(26)25(12-15-6-5-11-27-15)13-17-18(23)8-4-9-19(17)24/h2-11H,12-13H2,1H3.

What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide?

N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 397.83 g/mol, XLogP of 5.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 19120210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).