2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-cyclobutyl-2-oxoacetamide;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-cyclopropyl-2-oxoacetamide;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxo-N-propan-2-ylacetamide;2-[2-[(4-chloro-2-fluorophenyl)methyl]-3-oxocyclopentyl]-N-cyclopropyl-2-oxoacetamide;2-[2-[(4-chloro-3-fluorophenyl)methyl]-3-oxocyclopentyl]-N-cyclopropyl-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(oxan-4-ylmethyl)-2-oxoacetamide;2-[1-[(4-cyanophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide

C120H134Cl3F2N13O22 — CID 159780896

About 2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-cyclobutyl-2-oxoacetamide;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-cyclopropyl-2-oxoacetamide;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxo-N-propan-2-ylacetamide;2-[2-[(4-chloro-2-fluorophenyl)methyl]-3-oxocyclopentyl]-N-cyclopropyl-2-oxoacetamide;2-[2-[(4-chloro-3-fluorophenyl)methyl]-3-oxocyclopentyl]-N-cyclopropyl-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(oxan-4-ylmethyl)-2-oxoacetamide;2-[1-[(4-cyanophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide

2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-cyclobutyl-2-oxoacetamide;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-cyclopropyl-2-oxoacetamide;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxo-N-propan-2-ylacetamide;2-[2-[(4-chloro-2-fluorophenyl)methyl]-3-oxocyclopentyl]-N-cyclopropyl-2-oxoacetamide;2-[2-[(4-chloro-3-fluorophenyl)methyl]-3-oxocyclopentyl]-N-cyclopropyl-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(oxan-4-ylmethyl)-2-oxoacetamide;2-[1-[(4-cyanophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide (PubChem CID 159780896) has the molecular formula C120H134Cl3F2N13O22 and a molecular weight of 2254.82 g/mol. Its IUPAC name is 2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-cyclobutyl-2-oxoacetamide;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-cyclopropyl-2-oxoacetamide;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxo-N-propan-2-ylacetamide;2-[2-[(4-chloro-2-fluorophenyl)methyl]-3-oxocyclopentyl]-N-cyclopropyl-2-oxoacetamide;2-[2-[(4-chloro-3-fluorophenyl)methyl]-3-oxocyclopentyl]-N-cyclopropyl-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(oxan-4-ylmethyl)-2-oxoacetamide;2-[1-[(4-cyanophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide.

Molecular Properties

• Compound Name: 2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-cyclobutyl-2-oxoacetamide;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-cyclopropyl-2-oxoacetamide;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxo-N-propan-2-ylacetamide;2-[2-[(4-chloro-2-fluorophenyl)methyl]-3-oxocyclopentyl]-N-cyclopropyl-2-oxoacetamide;2-[2-[(4-chloro-3-fluorophenyl)methyl]-3-oxocyclopentyl]-N-cyclopropyl-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(oxan-4-ylmethyl)-2-oxoacetamide;2-[1-[(4-cyanophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide
• PubChem CID: 159780896
• Molecular Formula: C120H134Cl3F2N13O22
• Molecular Weight: 2254.82 g/mol
• Exact Mass: 2251.88
• IUPAC Name: 2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-cyclobutyl-2-oxoacetamide;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-cyclopropyl-2-oxoacetamide;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxo-N-propan-2-ylacetamide;2-[2-[(4-chloro-2-fluorophenyl)methyl]-3-oxocyclopentyl]-N-cyclopropyl-2-oxoacetamide;2-[2-[(4-chloro-3-fluorophenyl)methyl]-3-oxocyclopentyl]-N-cyclopropyl-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(oxan-4-ylmethyl)-2-oxoacetamide;2-[1-[(4-cyanophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide
• SMILES: CC(C)NC(=O)C(=O)[C@H]1CCC(=O)N1Cc1ccccc1.N#Cc1ccc(CN2C(=O)CCC2C(=O)C(=O)NCC2CC2)cc1.O=C(NC1CC1)C(=O)C1CCC(=O)C1Cc1ccc(Cl)c(F)c1.O=C(NC1CC1)C(=O)C1CCC(=O)C1Cc1ccc(Cl)cc1F.O=C(NC1CC1)C(=O)[C@H]1CCC(=O)N1Cc1ccccc1.O=C(NC1CCC1)C(=O)[C@H]1CCC(=O)N1Cc1ccccc1.O=C(NCC1CCOCC1)C(=O)C1CCC(=O)N1Cc1ccc(Cl)cc1
• InChI: InChI=1S/C19H23ClN2O4.C18H19N3O3.2C17H17ClFNO3.C17H20N2O3.C16H18N2O3.C16H20N2O3/c20-15-3-1-14(2-4-15)12-22-16(5-6-17(22)23)18(24)19(25)21-11-13-7-9-26-10-8-13;19-9-12-1-5-14(6-2-12)11-21-15(7-8-16(21)22)17(23)18(24)20-10-13-3-4-13;18-13-5-1-9(8-14(13)19)7-12-11(4-6-15(12)21)16(22)17(23)20-10-2-3-10;18-10-2-1-9(14(19)8-10)7-13-12(5-6-15(13)21)16(22)17(23)20-11-3-4-11;20-15-10-9-14(16(21)17(22)18-13-7-4-8-13)19(15)11-12-5-2-1-3-6-12;19-14-9-8-13(15(20)16(21)17-12-6-7-12)18(14)10-11-4-2-1-3-5-11;1-11(2)17-16(21)15(20)13-8-9-14(19)18(13)10-12-6-4-3-5-7-12/h1-4,13,16H,5-12H2,(H,21,25);1-2,5-6,13,15H,3-4,7-8,10-11H2,(H,20,24);1,5,8,10-12H,2-4,6-7H2,(H,20,23);1-2,8,11-13H,3-7H2,(H,20,23);1-3,5-6,13-14H,4,7-11H2,(H,18,22);1-5,12-13H,6-10H2,(H,17,21);3-7,11,13H,8-10H2,1-2H3,(H,17,21)/t;;;;14-;2*13-/m....111/s1
• InChIKey: NHIRWQMBVIOMTN-FVSMRGQESA-N
• XLogP: 11.73
• TPSA: 491.90 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 37
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2254.82
LogP ≤ 5	11.73
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-cyclobutyl-2-oxoacetamide;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-cyclopropyl-2-oxoacetamide;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxo-N-propan-2-ylacetamide;2-[2-[(4-chloro-2-fluorophenyl)methyl]-3-oxocyclopentyl]-N-cyclopropyl-2-oxoacetamide;2-[2-[(4-chloro-3-fluorophenyl)methyl]-3-oxocyclopentyl]-N-cyclopropyl-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(oxan-4-ylmethyl)-2-oxoacetamide;2-[1-[(4-cyanophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide?

The IUPAC name of 2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-cyclobutyl-2-oxoacetamide;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-cyclopropyl-2-oxoacetamide;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxo-N-propan-2-ylacetamide;2-[2-[(4-chloro-2-fluorophenyl)methyl]-3-oxocyclopentyl]-N-cyclopropyl-2-oxoacetamide;2-[2-[(4-chloro-3-fluorophenyl)methyl]-3-oxocyclopentyl]-N-cyclopropyl-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(oxan-4-ylmethyl)-2-oxoacetamide;2-[1-[(4-cyanophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide (CID 159780896) is 2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-cyclobutyl-2-oxoacetamide;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-cyclopropyl-2-oxoacetamide;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxo-N-propan-2-ylacetamide;2-[2-[(4-chloro-2-fluorophenyl)methyl]-3-oxocyclopentyl]-N-cyclopropyl-2-oxoacetamide;2-[2-[(4-chloro-3-fluorophenyl)methyl]-3-oxocyclopentyl]-N-cyclopropyl-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(oxan-4-ylmethyl)-2-oxoacetamide;2-[1-[(4-cyanophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide.

What is the SMILES notation for 2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-cyclobutyl-2-oxoacetamide;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-cyclopropyl-2-oxoacetamide;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxo-N-propan-2-ylacetamide;2-[2-[(4-chloro-2-fluorophenyl)methyl]-3-oxocyclopentyl]-N-cyclopropyl-2-oxoacetamide;2-[2-[(4-chloro-3-fluorophenyl)methyl]-3-oxocyclopentyl]-N-cyclopropyl-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(oxan-4-ylmethyl)-2-oxoacetamide;2-[1-[(4-cyanophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide?

The canonical SMILES for 2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-cyclobutyl-2-oxoacetamide;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-cyclopropyl-2-oxoacetamide;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxo-N-propan-2-ylacetamide;2-[2-[(4-chloro-2-fluorophenyl)methyl]-3-oxocyclopentyl]-N-cyclopropyl-2-oxoacetamide;2-[2-[(4-chloro-3-fluorophenyl)methyl]-3-oxocyclopentyl]-N-cyclopropyl-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(oxan-4-ylmethyl)-2-oxoacetamide;2-[1-[(4-cyanophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide is CC(C)NC(=O)C(=O)[C@H]1CCC(=O)N1Cc1ccccc1.N#Cc1ccc(CN2C(=O)CCC2C(=O)C(=O)NCC2CC2)cc1.O=C(NC1CC1)C(=O)C1CCC(=O)C1Cc1ccc(Cl)c(F)c1.O=C(NC1CC1)C(=O)C1CCC(=O)C1Cc1ccc(Cl)cc1F.O=C(NC1CC1)C(=O)[C@H]1CCC(=O)N1Cc1ccccc1.O=C(NC1CCC1)C(=O)[C@H]1CCC(=O)N1Cc1ccccc1.O=C(NCC1CCOCC1)C(=O)C1CCC(=O)N1Cc1ccc(Cl)cc1.

What is the InChIKey of 2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-cyclobutyl-2-oxoacetamide;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-cyclopropyl-2-oxoacetamide;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxo-N-propan-2-ylacetamide;2-[2-[(4-chloro-2-fluorophenyl)methyl]-3-oxocyclopentyl]-N-cyclopropyl-2-oxoacetamide;2-[2-[(4-chloro-3-fluorophenyl)methyl]-3-oxocyclopentyl]-N-cyclopropyl-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(oxan-4-ylmethyl)-2-oxoacetamide;2-[1-[(4-cyanophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide?

The InChIKey is NHIRWQMBVIOMTN-FVSMRGQESA-N. The full InChI is InChI=1S/C19H23ClN2O4.C18H19N3O3.2C17H17ClFNO3.C17H20N2O3.C16H18N2O3.C16H20N2O3/c20-15-3-1-14(2-4-15)12-22-16(5-6-17(22)23)18(24)19(25)21-11-13-7-9-26-10-8-13;19-9-12-1-5-14(6-2-12)11-21-15(7-8-16(21)22)17(23)18(24)20-10-13-3-4-13;18-13-5-1-9(8-14(13)19)7-12-11(4-6-15(12)21)16(22)17(23)20-10-2-3-10;18-10-2-1-9(14(19)8-10)7-13-12(5-6-15(13)21)16(22)17(23)20-11-3-4-11;20-15-10-9-14(16(21)17(22)18-13-7-4-8-13)19(15)11-12-5-2-1-3-6-12;19-14-9-8-13(15(20)16(21)17-12-6-7-12)18(14)10-11-4-2-1-3-5-11;1-11(2)17-16(21)15(20)13-8-9-14(19)18(13)10-12-6-4-3-5-7-12/h1-4,13,16H,5-12H2,(H,21,25);1-2,5-6,13,15H,3-4,7-8,10-11H2,(H,20,24);1,5,8,10-12H,2-4,6-7H2,(H,20,23);1-2,8,11-13H,3-7H2,(H,20,23);1-3,5-6,13-14H,4,7-11H2,(H,18,22);1-5,12-13H,6-10H2,(H,17,21);3-7,11,13H,8-10H2,1-2H3,(H,17,21)/t;;;;14-;2*13-/m....111/s1.

What are the key properties of 2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-cyclobutyl-2-oxoacetamide;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-cyclopropyl-2-oxoacetamide;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxo-N-propan-2-ylacetamide;2-[2-[(4-chloro-2-fluorophenyl)methyl]-3-oxocyclopentyl]-N-cyclopropyl-2-oxoacetamide;2-[2-[(4-chloro-3-fluorophenyl)methyl]-3-oxocyclopentyl]-N-cyclopropyl-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(oxan-4-ylmethyl)-2-oxoacetamide;2-[1-[(4-cyanophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide?

2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-cyclobutyl-2-oxoacetamide;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-cyclopropyl-2-oxoacetamide;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxo-N-propan-2-ylacetamide;2-[2-[(4-chloro-2-fluorophenyl)methyl]-3-oxocyclopentyl]-N-cyclopropyl-2-oxoacetamide;2-[2-[(4-chloro-3-fluorophenyl)methyl]-3-oxocyclopentyl]-N-cyclopropyl-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(oxan-4-ylmethyl)-2-oxoacetamide;2-[1-[(4-cyanophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide has a molecular weight of 2254.82 g/mol, XLogP of 11.73, 37 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-cyclobutyl-2-oxoacetamide;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-cyclopropyl-2-oxoacetamide;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-oxo-N-propan-2-ylacetamide;2-[2-[(4-chloro-2-fluorophenyl)methyl]-3-oxocyclopentyl]-N-cyclopropyl-2-oxoacetamide;2-[2-[(4-chloro-3-fluorophenyl)methyl]-3-oxocyclopentyl]-N-cyclopropyl-2-oxoacetamide;2-[1-[(4-chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(oxan-4-ylmethyl)-2-oxoacetamide;2-[1-[(4-cyanophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide is sourced from PubChem (CID 159780896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).