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

C27H23ClF5N3O4 — CID 162437704

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

N-[(4R)-4-(4-chlorophenyl)-1-[1-(2,2-difluoroethyl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]-N-methyl-4-(trifluoromethoxy)benzamide (PubChem CID 162437704) has the molecular formula C27H23ClF5N3O4 and a molecular weight of 583.94 g/mol. Its IUPAC name is N-[(4R)-4-(4-chlorophenyl)-1-[1-(2,2-difluoroethyl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]-N-methyl-4-(trifluoromethoxy)benzamide.

Molecular Properties

• Compound Name: N-[(4R)-4-(4-chlorophenyl)-1-[1-(2,2-difluoroethyl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]-N-methyl-4-(trifluoromethoxy)benzamide
• PubChem CID: 162437704
• Molecular Formula: C27H23ClF5N3O4
• Molecular Weight: 583.94 g/mol
• Exact Mass: 583.13
• IUPAC Name: N-[(4R)-4-(4-chlorophenyl)-1-[1-(2,2-difluoroethyl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]-N-methyl-4-(trifluoromethoxy)benzamide
• SMILES: Cc1ccn(CC(F)F)c(=O)c1N1C[C@@H](c2ccc(Cl)cc2)C(N(C)C(=O)c2ccc(OC(F)(F)F)cc2)C1=O
• InChI: InChI=1S/C27H23ClF5N3O4/c1-15-11-12-35(14-21(29)30)25(38)22(15)36-13-20(16-3-7-18(28)8-4-16)23(26(36)39)34(2)24(37)17-5-9-19(10-6-17)40-27(31,32)33/h3-12,20-21,23H,13-14H2,1-2H3/t20-,23?/m0/s1
• InChIKey: ABTFJLAYTZJTLX-AJZOCDQUSA-N
• XLogP: 5.25
• TPSA: 71.85 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.94
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[(4R)-4-(4-chlorophenyl)-1-[1-(2,2-difluoroethyl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]-N-methyl-4-(trifluoromethoxy)benzamide (CID 162437704) is N-[(4R)-4-(4-chlorophenyl)-1-[1-(2,2-difluoroethyl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]-N-methyl-4-(trifluoromethoxy)benzamide.

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

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

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

The InChIKey is ABTFJLAYTZJTLX-AJZOCDQUSA-N. The full InChI is InChI=1S/C27H23ClF5N3O4/c1-15-11-12-35(14-21(29)30)25(38)22(15)36-13-20(16-3-7-18(28)8-4-16)23(26(36)39)34(2)24(37)17-5-9-19(10-6-17)40-27(31,32)33/h3-12,20-21,23H,13-14H2,1-2H3/t20-,23?/m0/s1.

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

N-[(4R)-4-(4-chlorophenyl)-1-[1-(2,2-difluoroethyl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]-N-methyl-4-(trifluoromethoxy)benzamide has a molecular weight of 583.94 g/mol, XLogP of 5.25, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4R)-4-(4-chlorophenyl)-1-[1-(2,2-difluoroethyl)-4-methyl-2-oxo-3-pyridinyl]-2-oxopyrrolidin-3-yl]-N-methyl-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 162437704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).