5-[3-[[3-(difluoromethoxy)-1-methylcyclobutyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)-1-benzofuran-3-carboxamide

C32H28F6N2O4 — CID 130468986

About 5-[3-[[3-(difluoromethoxy)-1-methylcyclobutyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)-1-benzofuran-3-carboxamide

5-[3-[[3-(difluoromethoxy)-1-methylcyclobutyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)-1-benzofuran-3-carboxamide (PubChem CID 130468986) has the molecular formula C32H28F6N2O4 and a molecular weight of 618.57 g/mol. Its IUPAC name is 5-[3-[[3-(difluoromethoxy)-1-methylcyclobutyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 5-[3-[[3-(difluoromethoxy)-1-methylcyclobutyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)-1-benzofuran-3-carboxamide
• PubChem CID: 130468986
• Molecular Formula: C32H28F6N2O4
• Molecular Weight: 618.57 g/mol
• Exact Mass: 618.20
• IUPAC Name: 5-[3-[[3-(difluoromethoxy)-1-methylcyclobutyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)-1-benzofuran-3-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(CCC(F)(F)F)c(-c3cccc(C(=O)NC4(C)CC(OC(F)F)C4)c3)cc12
• InChI: InChI=1S/C32H28F6N2O4/c1-31(15-22(16-31)43-30(34)35)40-28(41)20-5-3-4-18(12-20)23-14-24-25(13-19(23)10-11-32(36,37)38)44-27(26(24)29(42)39-2)17-6-8-21(33)9-7-17/h3-9,12-14,22,30H,10-11,15-16H2,1-2H3,(H,39,42)(H,40,41)
• InChIKey: NNAPJYBAUSGYKP-UHFFFAOYSA-N
• XLogP: 7.65
• TPSA: 80.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	618.57
LogP ≤ 5	7.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[3-[[3-(difluoromethoxy)-1-methylcyclobutyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)-1-benzofuran-3-carboxamide?

The IUPAC name of 5-[3-[[3-(difluoromethoxy)-1-methylcyclobutyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)-1-benzofuran-3-carboxamide (CID 130468986) is 5-[3-[[3-(difluoromethoxy)-1-methylcyclobutyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)-1-benzofuran-3-carboxamide.

What is the SMILES notation for 5-[3-[[3-(difluoromethoxy)-1-methylcyclobutyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)-1-benzofuran-3-carboxamide?

The canonical SMILES for 5-[3-[[3-(difluoromethoxy)-1-methylcyclobutyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(CCC(F)(F)F)c(-c3cccc(C(=O)NC4(C)CC(OC(F)F)C4)c3)cc12.

What is the InChIKey of 5-[3-[[3-(difluoromethoxy)-1-methylcyclobutyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)-1-benzofuran-3-carboxamide?

The InChIKey is NNAPJYBAUSGYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28F6N2O4/c1-31(15-22(16-31)43-30(34)35)40-28(41)20-5-3-4-18(12-20)23-14-24-25(13-19(23)10-11-32(36,37)38)44-27(26(24)29(42)39-2)17-6-8-21(33)9-7-17/h3-9,12-14,22,30H,10-11,15-16H2,1-2H3,(H,39,42)(H,40,41).

What are the key properties of 5-[3-[[3-(difluoromethoxy)-1-methylcyclobutyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)-1-benzofuran-3-carboxamide?

5-[3-[[3-(difluoromethoxy)-1-methylcyclobutyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)-1-benzofuran-3-carboxamide has a molecular weight of 618.57 g/mol, XLogP of 7.65, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[[3-(difluoromethoxy)-1-methylcyclobutyl]carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 130468986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).