N-[(3S,4R)-4-(4-chlorophenyl)-1-[1-(2,2-difluoroethyl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide

C26H22ClF4N3O4 — CID 169319522

About N-[(3S,4R)-4-(4-chlorophenyl)-1-[1-(2,2-difluoroethyl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide

N-[(3S,4R)-4-(4-chlorophenyl)-1-[1-(2,2-difluoroethyl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide (PubChem CID 169319522) has the molecular formula C26H22ClF4N3O4 and a molecular weight of 551.92 g/mol. Its IUPAC name is N-[(3S,4R)-4-(4-chlorophenyl)-1-[1-(2,2-difluoroethyl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide.

Molecular Properties

• Compound Name: N-[(3S,4R)-4-(4-chlorophenyl)-1-[1-(2,2-difluoroethyl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide
• PubChem CID: 169319522
• Molecular Formula: C26H22ClF4N3O4
• Molecular Weight: 551.92 g/mol
• Exact Mass: 551.12
• IUPAC Name: N-[(3S,4R)-4-(4-chlorophenyl)-1-[1-(2,2-difluoroethyl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide
• SMILES: Cc1ccn(CC(F)F)c(=O)c1N1C[C@@H](c2ccc(Cl)cc2)[C@H](NC(=O)c2ccc(OC(F)F)cc2)C1=O
• InChI: InChI=1S/C26H22ClF4N3O4/c1-14-10-11-33(13-20(28)29)25(37)22(14)34-12-19(15-2-6-17(27)7-3-15)21(24(34)36)32-23(35)16-4-8-18(9-5-16)38-26(30)31/h2-11,19-21,26H,12-13H2,1H3,(H,32,35)/t19-,21-/m0/s1
• InChIKey: KCKBNRCWOLFLOX-FPOVZHCZSA-N
• XLogP: 4.61
• TPSA: 80.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	551.92
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-(4-chlorophenyl)-1-[1-(2,2-difluoroethyl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide?

The IUPAC name of N-[(3S,4R)-4-(4-chlorophenyl)-1-[1-(2,2-difluoroethyl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide (CID 169319522) is N-[(3S,4R)-4-(4-chlorophenyl)-1-[1-(2,2-difluoroethyl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide.

What is the SMILES notation for N-[(3S,4R)-4-(4-chlorophenyl)-1-[1-(2,2-difluoroethyl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide?

The canonical SMILES for N-[(3S,4R)-4-(4-chlorophenyl)-1-[1-(2,2-difluoroethyl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide is Cc1ccn(CC(F)F)c(=O)c1N1C[C@@H](c2ccc(Cl)cc2)[C@H](NC(=O)c2ccc(OC(F)F)cc2)C1=O.

What is the InChIKey of N-[(3S,4R)-4-(4-chlorophenyl)-1-[1-(2,2-difluoroethyl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide?

The InChIKey is KCKBNRCWOLFLOX-FPOVZHCZSA-N. The full InChI is InChI=1S/C26H22ClF4N3O4/c1-14-10-11-33(13-20(28)29)25(37)22(14)34-12-19(15-2-6-17(27)7-3-15)21(24(34)36)32-23(35)16-4-8-18(9-5-16)38-26(30)31/h2-11,19-21,26H,12-13H2,1H3,(H,32,35)/t19-,21-/m0/s1.

What are the key properties of N-[(3S,4R)-4-(4-chlorophenyl)-1-[1-(2,2-difluoroethyl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide?

N-[(3S,4R)-4-(4-chlorophenyl)-1-[1-(2,2-difluoroethyl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide has a molecular weight of 551.92 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S,4R)-4-(4-chlorophenyl)-1-[1-(2,2-difluoroethyl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]-4-(difluoromethoxy)benzamide is sourced from PubChem (CID 169319522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).