N-[(4R)-1-(4-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide

C25H20ClF4N3O5 — CID 162437378

About N-[(4R)-1-(4-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide

N-[(4R)-1-(4-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide (PubChem CID 162437378) has the molecular formula C25H20ClF4N3O5 and a molecular weight of 553.90 g/mol. Its IUPAC name is N-[(4R)-1-(4-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide.

Molecular Properties

• Compound Name: N-[(4R)-1-(4-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide
• PubChem CID: 162437378
• Molecular Formula: C25H20ClF4N3O5
• Molecular Weight: 553.90 g/mol
• Exact Mass: 553.10
• IUPAC Name: N-[(4R)-1-(4-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide
• SMILES: COc1cc(F)c([C@@H]2CN(c3c(Cl)ccn(C)c3=O)C(=O)C2NC(=O)c2ccc(OC(F)F)cc2)c(F)c1
• InChI: InChI=1S/C25H20ClF4N3O5/c1-32-8-7-16(26)21(24(32)36)33-11-15(19-17(27)9-14(37-2)10-18(19)28)20(23(33)35)31-22(34)12-3-5-13(6-4-12)38-25(29)30/h3-10,15,20,25H,11H2,1-2H3,(H,31,34)/t15-,20?/m0/s1
• InChIKey: JISZFPIVXGDDIX-OOJLDXBWSA-N
• XLogP: 3.86
• TPSA: 89.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	553.90
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-1-(4-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide?

The IUPAC name of N-[(4R)-1-(4-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide (CID 162437378) is N-[(4R)-1-(4-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide.

What is the SMILES notation for N-[(4R)-1-(4-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide?

The canonical SMILES for N-[(4R)-1-(4-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide is COc1cc(F)c([C@@H]2CN(c3c(Cl)ccn(C)c3=O)C(=O)C2NC(=O)c2ccc(OC(F)F)cc2)c(F)c1.

What is the InChIKey of N-[(4R)-1-(4-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide?

The InChIKey is JISZFPIVXGDDIX-OOJLDXBWSA-N. The full InChI is InChI=1S/C25H20ClF4N3O5/c1-32-8-7-16(26)21(24(32)36)33-11-15(19-17(27)9-14(37-2)10-18(19)28)20(23(33)35)31-22(34)12-3-5-13(6-4-12)38-25(29)30/h3-10,15,20,25H,11H2,1-2H3,(H,31,34)/t15-,20?/m0/s1.

What are the key properties of N-[(4R)-1-(4-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide?

N-[(4R)-1-(4-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide has a molecular weight of 553.90 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4R)-1-(4-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide is sourced from PubChem (CID 162437378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).