N-(4,4-difluoropyrrolidin-3-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide

C20H19F2N3O4 — CID 163380842

About N-(4,4-difluoropyrrolidin-3-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide

N-(4,4-difluoropyrrolidin-3-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide (PubChem CID 163380842) has the molecular formula C20H19F2N3O4 and a molecular weight of 403.39 g/mol. Its IUPAC name is N-(4,4-difluoropyrrolidin-3-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: N-(4,4-difluoropyrrolidin-3-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide
• PubChem CID: 163380842
• Molecular Formula: C20H19F2N3O4
• Molecular Weight: 403.39 g/mol
• Exact Mass: 403.13
• IUPAC Name: N-(4,4-difluoropyrrolidin-3-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide
• SMILES: Cc1oc2ccc(OCc3ccc[nH]c3=O)cc2c1C(=O)NC1CNCC1(F)F
• InChI: InChI=1S/C20H19F2N3O4/c1-11-17(19(27)25-16-8-23-10-20(16,21)22)14-7-13(4-5-15(14)29-11)28-9-12-3-2-6-24-18(12)26/h2-7,16,23H,8-10H2,1H3,(H,24,26)(H,25,27)
• InChIKey: PBSVMSLFRFVGHR-UHFFFAOYSA-N
• XLogP: 2.35
• TPSA: 96.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.39
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluoropyrrolidin-3-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide?

The IUPAC name of N-(4,4-difluoropyrrolidin-3-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide (CID 163380842) is N-(4,4-difluoropyrrolidin-3-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide.

What is the SMILES notation for N-(4,4-difluoropyrrolidin-3-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide?

The canonical SMILES for N-(4,4-difluoropyrrolidin-3-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide is Cc1oc2ccc(OCc3ccc[nH]c3=O)cc2c1C(=O)NC1CNCC1(F)F.

What is the InChIKey of N-(4,4-difluoropyrrolidin-3-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide?

The InChIKey is PBSVMSLFRFVGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O4/c1-11-17(19(27)25-16-8-23-10-20(16,21)22)14-7-13(4-5-15(14)29-11)28-9-12-3-2-6-24-18(12)26/h2-7,16,23H,8-10H2,1H3,(H,24,26)(H,25,27).

What are the key properties of N-(4,4-difluoropyrrolidin-3-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide?

N-(4,4-difluoropyrrolidin-3-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide has a molecular weight of 403.39 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,4-difluoropyrrolidin-3-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 163380842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).