N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide;N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide

C128H134F18N16O24 — CID 162207617

About N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide;N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide

N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide;N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 162207617) has the molecular formula C128H134F18N16O24 and a molecular weight of 2622.53 g/mol. Its IUPAC name is N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide;N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide;N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide
• PubChem CID: 162207617
• Molecular Formula: C128H134F18N16O24
• Molecular Weight: 2622.53 g/mol
• Exact Mass: 2620.95
• IUPAC Name: N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide;N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide
• SMILES: CC(=O)N(c1ccccc1C(F)(F)F)[C@@H]1CCN(C(=O)COc2ccc(CO)cc2)C1.CC(=O)N(c1ccccc1C(F)(F)F)[C@H]1CCN(C(=O)COc2ccc(CO)cc2)C1.CC(=O)N(c1cnccc1C(F)(F)F)[C@@H]1CCN(C(=O)COc2ccc(CO)cc2)C1.CC(=O)N(c1cnccc1C(F)(F)F)[C@H]1CCN(C(=O)COc2ccc(CO)cc2)C1.CC(=O)N(c1ncccc1C(F)(F)F)[C@@H]1CCN(C(=O)COc2ccc(CO)cc2)C1.CC(=O)N(c1ncccc1C(F)(F)F)[C@H]1CCN(C(=O)COc2ccc(CO)cc2)C1
• InChI: InChI=1S/2C22H23F3N2O4.4C21H22F3N3O4/c2*1-15(29)27(20-5-3-2-4-19(20)22(23,24)25)17-10-11-26(12-17)21(30)14-31-18-8-6-16(13-28)7-9-18;2*1-14(29)27(19-10-25-8-6-18(19)21(22,23)24)16-7-9-26(11-16)20(30)13-31-17-4-2-15(12-28)3-5-17;2*1-14(29)27(20-18(21(22,23)24)3-2-9-25-20)16-8-10-26(11-16)19(30)13-31-17-6-4-15(12-28)5-7-17/h2*2-9,17,28H,10-14H2,1H3;2*2-6,8,10,16,28H,7,9,11-13H2,1H3;2*2-7,9,16,28H,8,10-13H2,1H3/t2*17-;4*16-/m101010/s1
• InChIKey: ZSKHABDXHRVANE-SWBCKQGCSA-N
• XLogP: 16.96
• TPSA: 472.04 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 36
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2622.53
LogP ≤ 5	16.96
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide;N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide?

The IUPAC name of N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide;N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide (CID 162207617) is N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide;N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide.

What is the SMILES notation for N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide;N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide?

The canonical SMILES for N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide;N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide is CC(=O)N(c1ccccc1C(F)(F)F)[C@@H]1CCN(C(=O)COc2ccc(CO)cc2)C1.CC(=O)N(c1ccccc1C(F)(F)F)[C@H]1CCN(C(=O)COc2ccc(CO)cc2)C1.CC(=O)N(c1cnccc1C(F)(F)F)[C@@H]1CCN(C(=O)COc2ccc(CO)cc2)C1.CC(=O)N(c1cnccc1C(F)(F)F)[C@H]1CCN(C(=O)COc2ccc(CO)cc2)C1.CC(=O)N(c1ncccc1C(F)(F)F)[C@@H]1CCN(C(=O)COc2ccc(CO)cc2)C1.CC(=O)N(c1ncccc1C(F)(F)F)[C@H]1CCN(C(=O)COc2ccc(CO)cc2)C1.

What is the InChIKey of N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide;N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide?

The InChIKey is ZSKHABDXHRVANE-SWBCKQGCSA-N. The full InChI is InChI=1S/2C22H23F3N2O4.4C21H22F3N3O4/c2*1-15(29)27(20-5-3-2-4-19(20)22(23,24)25)17-10-11-26(12-17)21(30)14-31-18-8-6-16(13-28)7-9-18;2*1-14(29)27(19-10-25-8-6-18(19)21(22,23)24)16-7-9-26(11-16)20(30)13-31-17-4-2-15(12-28)3-5-17;2*1-14(29)27(20-18(21(22,23)24)3-2-9-25-20)16-8-10-26(11-16)19(30)13-31-17-6-4-15(12-28)5-7-17/h2*2-9,17,28H,10-14H2,1H3;2*2-6,8,10,16,28H,7,9,11-13H2,1H3;2*2-7,9,16,28H,8,10-13H2,1H3/t2*17-;4*16-/m101010/s1.

What are the key properties of N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide;N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide?

N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide;N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 2622.53 g/mol, XLogP of 16.96, 36 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide;N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[3-(trifluoromethyl)-2-pyridinyl]acetamide;N-[(3R)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide;N-[(3S)-1-[2-[4-(hydroxymethyl)phenoxy]acetyl]pyrrolidin-3-yl]-N-[4-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 162207617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).