2-(4-fluorophenyl)-N-methyl-5-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]-1-benzofuran-3-carboxamide

C31H25FN2O3 — CID 59275235

About 2-(4-fluorophenyl)-N-methyl-5-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]-1-benzofuran-3-carboxamide

2-(4-fluorophenyl)-N-methyl-5-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]-1-benzofuran-3-carboxamide (PubChem CID 59275235) has the molecular formula C31H25FN2O3 and a molecular weight of 492.55 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-5-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 2-(4-fluorophenyl)-N-methyl-5-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]-1-benzofuran-3-carboxamide
• PubChem CID: 59275235
• Molecular Formula: C31H25FN2O3
• Molecular Weight: 492.55 g/mol
• Exact Mass: 492.18
• IUPAC Name: 2-(4-fluorophenyl)-N-methyl-5-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]-1-benzofuran-3-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(C(=O)NCc4ccc(C)cc4)c3)cc12
• InChI: InChI=1S/C31H25FN2O3/c1-19-6-8-20(9-7-19)18-34-30(35)24-5-3-4-22(16-24)23-12-15-27-26(17-23)28(31(36)33-2)29(37-27)21-10-13-25(32)14-11-21/h3-17H,18H2,1-2H3,(H,33,36)(H,34,35)
• InChIKey: ALNNNTVFWAXPLW-UHFFFAOYSA-N
• XLogP: 6.50
• TPSA: 71.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.55
LogP ≤ 5	6.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-5-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]-1-benzofuran-3-carboxamide?

The IUPAC name of 2-(4-fluorophenyl)-N-methyl-5-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]-1-benzofuran-3-carboxamide (CID 59275235) is 2-(4-fluorophenyl)-N-methyl-5-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]-1-benzofuran-3-carboxamide.

What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-5-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]-1-benzofuran-3-carboxamide?

The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-5-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(C(=O)NCc4ccc(C)cc4)c3)cc12.

What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-5-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]-1-benzofuran-3-carboxamide?

The InChIKey is ALNNNTVFWAXPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25FN2O3/c1-19-6-8-20(9-7-19)18-34-30(35)24-5-3-4-22(16-24)23-12-15-27-26(17-23)28(31(36)33-2)29(37-27)21-10-13-25(32)14-11-21/h3-17H,18H2,1-2H3,(H,33,36)(H,34,35).

What are the key properties of 2-(4-fluorophenyl)-N-methyl-5-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]-1-benzofuran-3-carboxamide?

2-(4-fluorophenyl)-N-methyl-5-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]-1-benzofuran-3-carboxamide has a molecular weight of 492.55 g/mol, XLogP of 6.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenyl)-N-methyl-5-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 59275235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).