2-[(3R,4R)-4-benzyl-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxopyrrolidin-3-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;N-cyclopentyl-2-oxo-2-[(3R,4S)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide;N-(2,2-difluoropropyl)-2-[(3R,4R)-4-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxoacetamide;N-(2,2-difluoropropyl)-2-oxo-2-[(3R,4R)-5-oxo-4-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide;2-oxo-2-[(3R,4S)-5-oxo-4-phenylpyrrolidin-3-yl]-N-propan-2-ylacetamide

C100H114F7N15O18 — CID 158859437

About 2-[(3R,4R)-4-benzyl-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxopyrrolidin-3-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;N-cyclopentyl-2-oxo-2-[(3R,4S)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide;N-(2,2-difluoropropyl)-2-[(3R,4R)-4-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxoacetamide;N-(2,2-difluoropropyl)-2-oxo-2-[(3R,4R)-5-oxo-4-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide;2-oxo-2-[(3R,4S)-5-oxo-4-phenylpyrrolidin-3-yl]-N-propan-2-ylacetamide

2-[(3R,4R)-4-benzyl-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxopyrrolidin-3-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;N-cyclopentyl-2-oxo-2-[(3R,4S)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide;N-(2,2-difluoropropyl)-2-[(3R,4R)-4-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxoacetamide;N-(2,2-difluoropropyl)-2-oxo-2-[(3R,4R)-5-oxo-4-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide;2-oxo-2-[(3R,4S)-5-oxo-4-phenylpyrrolidin-3-yl]-N-propan-2-ylacetamide (PubChem CID 158859437) has the molecular formula C100H114F7N15O18 and a molecular weight of 1947.08 g/mol. Its IUPAC name is 2-[(3R,4R)-4-benzyl-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxopyrrolidin-3-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;N-cyclopentyl-2-oxo-2-[(3R,4S)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide;N-(2,2-difluoropropyl)-2-[(3R,4R)-4-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxoacetamide;N-(2,2-difluoropropyl)-2-oxo-2-[(3R,4R)-5-oxo-4-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide;2-oxo-2-[(3R,4S)-5-oxo-4-phenylpyrrolidin-3-yl]-N-propan-2-ylacetamide.

Molecular Properties

• Compound Name: 2-[(3R,4R)-4-benzyl-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxopyrrolidin-3-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;N-cyclopentyl-2-oxo-2-[(3R,4S)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide;N-(2,2-difluoropropyl)-2-[(3R,4R)-4-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxoacetamide;N-(2,2-difluoropropyl)-2-oxo-2-[(3R,4R)-5-oxo-4-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide;2-oxo-2-[(3R,4S)-5-oxo-4-phenylpyrrolidin-3-yl]-N-propan-2-ylacetamide
• PubChem CID: 158859437
• Molecular Formula: C100H114F7N15O18
• Molecular Weight: 1947.08 g/mol
• Exact Mass: 1945.84
• IUPAC Name: 2-[(3R,4R)-4-benzyl-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxopyrrolidin-3-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;N-cyclopentyl-2-oxo-2-[(3R,4S)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide;N-(2,2-difluoropropyl)-2-[(3R,4R)-4-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxoacetamide;N-(2,2-difluoropropyl)-2-oxo-2-[(3R,4R)-5-oxo-4-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide;2-oxo-2-[(3R,4S)-5-oxo-4-phenylpyrrolidin-3-yl]-N-propan-2-ylacetamide
• SMILES: CC(C)NC(=O)C(=O)[C@H]1CNC(=O)[C@@H]1c1ccccc1.CC(F)(F)CNC(=O)C(=O)[C@H]1CNC(=O)[C@@H]1Cc1ccc(F)cc1.CC(F)(F)CNC(=O)C(=O)[C@H]1CNC(=O)[C@@H]1Cc1ccccn1.Cn1cc(N2C[C@H](C(=O)C(=O)NCC(C)(F)F)[C@@H](Cc3ccccc3)C2=O)cn1.O=C(NC1CCCC1)C(=O)[C@H]1CNC(=O)[C@@H]1c1ccccc1.O=C(NCC1CC1)C(=O)[C@H]1CNC(=O)[C@@H]1Cc1ccccc1
• InChI: InChI=1S/C20H22F2N4O3.2C17H20N2O3.C16H17F3N2O3.C15H17F2N3O3.C15H18N2O3/c1-20(21,22)12-23-18(28)17(27)16-11-26(14-9-24-25(2)10-14)19(29)15(16)8-13-6-4-3-5-7-13;20-15(17(22)19-12-8-4-5-9-12)13-10-18-16(21)14(13)11-6-2-1-3-7-11;20-15(17(22)18-9-12-6-7-12)14-10-19-16(21)13(14)8-11-4-2-1-3-5-11;1-16(18,19)8-21-15(24)13(22)12-7-20-14(23)11(12)6-9-2-4-10(17)5-3-9;1-15(16,17)8-20-14(23)12(21)11-7-19-13(22)10(11)6-9-4-2-3-5-18-9;1-9(2)17-15(20)13(18)11-8-16-14(19)12(11)10-6-4-3-5-7-10/h3-7,9-10,15-16H,8,11-12H2,1-2H3,(H,23,28);1-3,6-7,12-14H,4-5,8-10H2,(H,18,21)(H,19,22);1-5,12-14H,6-10H2,(H,18,22)(H,19,21);2-5,11-12H,6-8H2,1H3,(H,20,23)(H,21,24);2-5,10-11H,6-8H2,1H3,(H,19,22)(H,20,23);3-7,9,11-12H,8H2,1-2H3,(H,16,19)(H,17,20)/t15-,16+;2*13-,14+;11-,12+;10-,11+;11-,12+/m101110/s1
• InChIKey: JALXDTMLIUEEQH-MBLWPLBMSA-N
• XLogP: 5.42
• TPSA: 473.54 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 21
• Rotatable Bonds: 33
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1947.08
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-4-benzyl-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxopyrrolidin-3-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;N-cyclopentyl-2-oxo-2-[(3R,4S)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide;N-(2,2-difluoropropyl)-2-[(3R,4R)-4-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxoacetamide;N-(2,2-difluoropropyl)-2-oxo-2-[(3R,4R)-5-oxo-4-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide;2-oxo-2-[(3R,4S)-5-oxo-4-phenylpyrrolidin-3-yl]-N-propan-2-ylacetamide?

The IUPAC name of 2-[(3R,4R)-4-benzyl-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxopyrrolidin-3-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;N-cyclopentyl-2-oxo-2-[(3R,4S)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide;N-(2,2-difluoropropyl)-2-[(3R,4R)-4-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxoacetamide;N-(2,2-difluoropropyl)-2-oxo-2-[(3R,4R)-5-oxo-4-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide;2-oxo-2-[(3R,4S)-5-oxo-4-phenylpyrrolidin-3-yl]-N-propan-2-ylacetamide (CID 158859437) is 2-[(3R,4R)-4-benzyl-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxopyrrolidin-3-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;N-cyclopentyl-2-oxo-2-[(3R,4S)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide;N-(2,2-difluoropropyl)-2-[(3R,4R)-4-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxoacetamide;N-(2,2-difluoropropyl)-2-oxo-2-[(3R,4R)-5-oxo-4-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide;2-oxo-2-[(3R,4S)-5-oxo-4-phenylpyrrolidin-3-yl]-N-propan-2-ylacetamide.

What is the SMILES notation for 2-[(3R,4R)-4-benzyl-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxopyrrolidin-3-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;N-cyclopentyl-2-oxo-2-[(3R,4S)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide;N-(2,2-difluoropropyl)-2-[(3R,4R)-4-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxoacetamide;N-(2,2-difluoropropyl)-2-oxo-2-[(3R,4R)-5-oxo-4-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide;2-oxo-2-[(3R,4S)-5-oxo-4-phenylpyrrolidin-3-yl]-N-propan-2-ylacetamide?

The canonical SMILES for 2-[(3R,4R)-4-benzyl-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxopyrrolidin-3-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;N-cyclopentyl-2-oxo-2-[(3R,4S)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide;N-(2,2-difluoropropyl)-2-[(3R,4R)-4-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxoacetamide;N-(2,2-difluoropropyl)-2-oxo-2-[(3R,4R)-5-oxo-4-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide;2-oxo-2-[(3R,4S)-5-oxo-4-phenylpyrrolidin-3-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)C(=O)[C@H]1CNC(=O)[C@@H]1c1ccccc1.CC(F)(F)CNC(=O)C(=O)[C@H]1CNC(=O)[C@@H]1Cc1ccc(F)cc1.CC(F)(F)CNC(=O)C(=O)[C@H]1CNC(=O)[C@@H]1Cc1ccccn1.Cn1cc(N2C[C@H](C(=O)C(=O)NCC(C)(F)F)[C@@H](Cc3ccccc3)C2=O)cn1.O=C(NC1CCCC1)C(=O)[C@H]1CNC(=O)[C@@H]1c1ccccc1.O=C(NCC1CC1)C(=O)[C@H]1CNC(=O)[C@@H]1Cc1ccccc1.

What is the InChIKey of 2-[(3R,4R)-4-benzyl-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxopyrrolidin-3-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;N-cyclopentyl-2-oxo-2-[(3R,4S)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide;N-(2,2-difluoropropyl)-2-[(3R,4R)-4-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxoacetamide;N-(2,2-difluoropropyl)-2-oxo-2-[(3R,4R)-5-oxo-4-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide;2-oxo-2-[(3R,4S)-5-oxo-4-phenylpyrrolidin-3-yl]-N-propan-2-ylacetamide?

The InChIKey is JALXDTMLIUEEQH-MBLWPLBMSA-N. The full InChI is InChI=1S/C20H22F2N4O3.2C17H20N2O3.C16H17F3N2O3.C15H17F2N3O3.C15H18N2O3/c1-20(21,22)12-23-18(28)17(27)16-11-26(14-9-24-25(2)10-14)19(29)15(16)8-13-6-4-3-5-7-13;20-15(17(22)19-12-8-4-5-9-12)13-10-18-16(21)14(13)11-6-2-1-3-7-11;20-15(17(22)18-9-12-6-7-12)14-10-19-16(21)13(14)8-11-4-2-1-3-5-11;1-16(18,19)8-21-15(24)13(22)12-7-20-14(23)11(12)6-9-2-4-10(17)5-3-9;1-15(16,17)8-20-14(23)12(21)11-7-19-13(22)10(11)6-9-4-2-3-5-18-9;1-9(2)17-15(20)13(18)11-8-16-14(19)12(11)10-6-4-3-5-7-10/h3-7,9-10,15-16H,8,11-12H2,1-2H3,(H,23,28);1-3,6-7,12-14H,4-5,8-10H2,(H,18,21)(H,19,22);1-5,12-14H,6-10H2,(H,18,22)(H,19,21);2-5,11-12H,6-8H2,1H3,(H,20,23)(H,21,24);2-5,10-11H,6-8H2,1H3,(H,19,22)(H,20,23);3-7,9,11-12H,8H2,1-2H3,(H,16,19)(H,17,20)/t15-,16+;2*13-,14+;11-,12+;10-,11+;11-,12+/m101110/s1.

What are the key properties of 2-[(3R,4R)-4-benzyl-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxopyrrolidin-3-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;N-cyclopentyl-2-oxo-2-[(3R,4S)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide;N-(2,2-difluoropropyl)-2-[(3R,4R)-4-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxoacetamide;N-(2,2-difluoropropyl)-2-oxo-2-[(3R,4R)-5-oxo-4-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide;2-oxo-2-[(3R,4S)-5-oxo-4-phenylpyrrolidin-3-yl]-N-propan-2-ylacetamide?

2-[(3R,4R)-4-benzyl-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxopyrrolidin-3-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;N-cyclopentyl-2-oxo-2-[(3R,4S)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide;N-(2,2-difluoropropyl)-2-[(3R,4R)-4-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxoacetamide;N-(2,2-difluoropropyl)-2-oxo-2-[(3R,4R)-5-oxo-4-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide;2-oxo-2-[(3R,4S)-5-oxo-4-phenylpyrrolidin-3-yl]-N-propan-2-ylacetamide has a molecular weight of 1947.08 g/mol, XLogP of 5.42, 33 rotatable bonds, 11 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3R,4R)-4-benzyl-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxopyrrolidin-3-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;N-cyclopentyl-2-oxo-2-[(3R,4S)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide;N-(2,2-difluoropropyl)-2-[(3R,4R)-4-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxoacetamide;N-(2,2-difluoropropyl)-2-oxo-2-[(3R,4R)-5-oxo-4-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide;2-oxo-2-[(3R,4S)-5-oxo-4-phenylpyrrolidin-3-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 158859437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).