(2S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-4,4-difluoro-1-methylpyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-4-fluoro-1-methylpyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-methylidenepyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-phenoxypyrrolidine-2-carboxamide;(2S,4R)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-phenoxypyrrolidine-2-carboxamide;(2S,4R)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-phenylmethoxypyrrolidine-2-carboxamide

C110H167F3N12O15 — CID 160647364

About (2S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-4,4-difluoro-1-methylpyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-4-fluoro-1-methylpyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-methylidenepyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-phenoxypyrrolidine-2-carboxamide;(2S,4R)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-phenoxypyrrolidine-2-carboxamide;(2S,4R)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-phenylmethoxypyrrolidine-2-carboxamide

(2S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-4,4-difluoro-1-methylpyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-4-fluoro-1-methylpyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-methylidenepyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-phenoxypyrrolidine-2-carboxamide;(2S,4R)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-phenoxypyrrolidine-2-carboxamide;(2S,4R)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-phenylmethoxypyrrolidine-2-carboxamide (PubChem CID 160647364) has the molecular formula C110H167F3N12O15 and a molecular weight of 1954.61 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-4,4-difluoro-1-methylpyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-4-fluoro-1-methylpyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-methylidenepyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-phenoxypyrrolidine-2-carboxamide;(2S,4R)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-phenoxypyrrolidine-2-carboxamide;(2S,4R)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-phenylmethoxypyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-4,4-difluoro-1-methylpyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-4-fluoro-1-methylpyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-methylidenepyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-phenoxypyrrolidine-2-carboxamide;(2S,4R)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-phenoxypyrrolidine-2-carboxamide;(2S,4R)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-phenylmethoxypyrrolidine-2-carboxamide
• PubChem CID: 160647364
• Molecular Formula: C110H167F3N12O15
• Molecular Weight: 1954.61 g/mol
• Exact Mass: 1953.26
• IUPAC Name: (2S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-4,4-difluoro-1-methylpyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-4-fluoro-1-methylpyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-methylidenepyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-phenoxypyrrolidine-2-carboxamide;(2S,4R)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-phenoxypyrrolidine-2-carboxamide;(2S,4R)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-phenylmethoxypyrrolidine-2-carboxamide
• SMILES: C=C1C[C@@H](C(=O)N[C@H](C(C)=O)C2CCCCC2)N(C)C1.CC(=O)[C@@H](NC(=O)[C@@H]1CC(F)(F)CN1C)C1CCCCC1.CC(=O)[C@@H](NC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C)C1CCCCC1.CC(=O)[C@@H](NC(=O)[C@@H]1C[C@@H](Oc2ccccc2)CN1C)C1CCCCC1.CC(=O)[C@@H](NC(=O)[C@@H]1C[C@H](F)CN1C)C1CCCCC1.CC(=O)[C@@H](NC(=O)[C@@H]1C[C@H](Oc2ccccc2)CN1C)C1CCCCC1
• InChI: InChI=1S/C22H32N2O3.2C21H30N2O3.C16H26N2O2.C15H24F2N2O2.C15H25FN2O2/c1-16(25)21(18-11-7-4-8-12-18)23-22(26)20-13-19(14-24(20)2)27-15-17-9-5-3-6-10-17;2*1-15(24)20(16-9-5-3-6-10-16)22-21(25)19-13-18(14-23(19)2)26-17-11-7-4-8-12-17;1-11-9-14(18(3)10-11)16(20)17-15(12(2)19)13-7-5-4-6-8-13;1-10(20)13(11-6-4-3-5-7-11)18-14(21)12-8-15(16,17)9-19(12)2;1-10(19)14(11-6-4-3-5-7-11)17-15(20)13-8-12(16)9-18(13)2/h3,5-6,9-10,18-21H,4,7-8,11-15H2,1-2H3,(H,23,26);2*4,7-8,11-12,16,18-20H,3,5-6,9-10,13-14H2,1-2H3,(H,22,25);13-15H,1,4-10H2,2-3H3,(H,17,20);11-13H,3-9H2,1-2H3,(H,18,21);11-14H,3-9H2,1-2H3,(H,17,20)/t19-,20+,21-;18-,19+,20-;18-,19-,20+;14-,15+;12-,13+;12-,13-,14+/m110000/s1
• InChIKey: RJYQFEAHYCXJEY-CJPQXYHVSA-N
• XLogP: 14.08
• TPSA: 324.15 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 31
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1954.61
LogP ≤ 5	14.08
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-4,4-difluoro-1-methylpyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-4-fluoro-1-methylpyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-methylidenepyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-phenoxypyrrolidine-2-carboxamide;(2S,4R)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-phenoxypyrrolidine-2-carboxamide;(2S,4R)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-phenylmethoxypyrrolidine-2-carboxamide?

The IUPAC name of (2S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-4,4-difluoro-1-methylpyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-4-fluoro-1-methylpyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-methylidenepyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-phenoxypyrrolidine-2-carboxamide;(2S,4R)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-phenoxypyrrolidine-2-carboxamide;(2S,4R)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-phenylmethoxypyrrolidine-2-carboxamide (CID 160647364) is (2S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-4,4-difluoro-1-methylpyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-4-fluoro-1-methylpyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-methylidenepyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-phenoxypyrrolidine-2-carboxamide;(2S,4R)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-phenoxypyrrolidine-2-carboxamide;(2S,4R)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-phenylmethoxypyrrolidine-2-carboxamide.

What is the SMILES notation for (2S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-4,4-difluoro-1-methylpyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-4-fluoro-1-methylpyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-methylidenepyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-phenoxypyrrolidine-2-carboxamide;(2S,4R)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-phenoxypyrrolidine-2-carboxamide;(2S,4R)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-phenylmethoxypyrrolidine-2-carboxamide?

The canonical SMILES for (2S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-4,4-difluoro-1-methylpyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-4-fluoro-1-methylpyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-methylidenepyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-phenoxypyrrolidine-2-carboxamide;(2S,4R)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-phenoxypyrrolidine-2-carboxamide;(2S,4R)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-phenylmethoxypyrrolidine-2-carboxamide is C=C1C[C@@H](C(=O)N[C@H](C(C)=O)C2CCCCC2)N(C)C1.CC(=O)[C@@H](NC(=O)[C@@H]1CC(F)(F)CN1C)C1CCCCC1.CC(=O)[C@@H](NC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C)C1CCCCC1.CC(=O)[C@@H](NC(=O)[C@@H]1C[C@@H](Oc2ccccc2)CN1C)C1CCCCC1.CC(=O)[C@@H](NC(=O)[C@@H]1C[C@H](F)CN1C)C1CCCCC1.CC(=O)[C@@H](NC(=O)[C@@H]1C[C@H](Oc2ccccc2)CN1C)C1CCCCC1.

What is the InChIKey of (2S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-4,4-difluoro-1-methylpyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-4-fluoro-1-methylpyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-methylidenepyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-phenoxypyrrolidine-2-carboxamide;(2S,4R)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-phenoxypyrrolidine-2-carboxamide;(2S,4R)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-phenylmethoxypyrrolidine-2-carboxamide?

The InChIKey is RJYQFEAHYCXJEY-CJPQXYHVSA-N. The full InChI is InChI=1S/C22H32N2O3.2C21H30N2O3.C16H26N2O2.C15H24F2N2O2.C15H25FN2O2/c1-16(25)21(18-11-7-4-8-12-18)23-22(26)20-13-19(14-24(20)2)27-15-17-9-5-3-6-10-17;2*1-15(24)20(16-9-5-3-6-10-16)22-21(25)19-13-18(14-23(19)2)26-17-11-7-4-8-12-17;1-11-9-14(18(3)10-11)16(20)17-15(12(2)19)13-7-5-4-6-8-13;1-10(20)13(11-6-4-3-5-7-11)18-14(21)12-8-15(16,17)9-19(12)2;1-10(19)14(11-6-4-3-5-7-11)17-15(20)13-8-12(16)9-18(13)2/h3,5-6,9-10,18-21H,4,7-8,11-15H2,1-2H3,(H,23,26);2*4,7-8,11-12,16,18-20H,3,5-6,9-10,13-14H2,1-2H3,(H,22,25);13-15H,1,4-10H2,2-3H3,(H,17,20);11-13H,3-9H2,1-2H3,(H,18,21);11-14H,3-9H2,1-2H3,(H,17,20)/t19-,20+,21-;18-,19+,20-;18-,19-,20+;14-,15+;12-,13+;12-,13-,14+/m110000/s1.

What are the key properties of (2S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-4,4-difluoro-1-methylpyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-4-fluoro-1-methylpyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-methylidenepyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-phenoxypyrrolidine-2-carboxamide;(2S,4R)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-phenoxypyrrolidine-2-carboxamide;(2S,4R)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-phenylmethoxypyrrolidine-2-carboxamide?

(2S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-4,4-difluoro-1-methylpyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-4-fluoro-1-methylpyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-methylidenepyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-phenoxypyrrolidine-2-carboxamide;(2S,4R)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-phenoxypyrrolidine-2-carboxamide;(2S,4R)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-phenylmethoxypyrrolidine-2-carboxamide has a molecular weight of 1954.61 g/mol, XLogP of 14.08, 31 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-4,4-difluoro-1-methylpyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-4-fluoro-1-methylpyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-methylidenepyrrolidine-2-carboxamide;(2S,4S)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-phenoxypyrrolidine-2-carboxamide;(2S,4R)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-phenoxypyrrolidine-2-carboxamide;(2S,4R)-N-[(1S)-1-cyclohexyl-2-oxopropyl]-1-methyl-4-phenylmethoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 160647364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).