(3R,5R)-5-[3-(1,1,2-trifluoroethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-3-[2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ylamino]pyrrolidin-2-one

C28H24F9N3O2 — CID 24989715

About (3R,5R)-5-[3-(1,1,2-trifluoroethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-3-[2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ylamino]pyrrolidin-2-one

(3R,5R)-5-[3-(1,1,2-trifluoroethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-3-[2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ylamino]pyrrolidin-2-one (PubChem CID 24989715) has the molecular formula C28H24F9N3O2 and a molecular weight of 605.50 g/mol. Its IUPAC name is (3R,5R)-5-[3-(1,1,2-trifluoroethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-3-[2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ylamino]pyrrolidin-2-one.

Molecular Properties

• Compound Name: (3R,5R)-5-[3-(1,1,2-trifluoroethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-3-[2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ylamino]pyrrolidin-2-one
• PubChem CID: 24989715
• Molecular Formula: C28H24F9N3O2
• Molecular Weight: 605.50 g/mol
• Exact Mass: 605.17
• IUPAC Name: (3R,5R)-5-[3-(1,1,2-trifluoroethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-3-[2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ylamino]pyrrolidin-2-one
• SMILES: CC(C)(N[C@@H]1C[C@H](c2cccc(OC(F)(F)CF)c2)N(c2ccc(C(F)(F)F)cc2)C1=O)c1ccc(C(F)(F)F)nc1
• InChI: InChI=1S/C28H24F9N3O2/c1-25(2,18-8-11-23(38-14-18)28(35,36)37)39-21-13-22(16-4-3-5-20(12-16)42-26(30,31)15-29)40(24(21)41)19-9-6-17(7-10-19)27(32,33)34/h3-12,14,21-22,39H,13,15H2,1-2H3/t21-,22-/m1/s1
• InChIKey: PEFCQYMORPCCAY-FGZHOGPDSA-N
• XLogP: 7.43
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.50
LogP ≤ 5	7.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-[3-(1,1,2-trifluoroethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-3-[2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ylamino]pyrrolidin-2-one?

The IUPAC name of (3R,5R)-5-[3-(1,1,2-trifluoroethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-3-[2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ylamino]pyrrolidin-2-one (CID 24989715) is (3R,5R)-5-[3-(1,1,2-trifluoroethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-3-[2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ylamino]pyrrolidin-2-one.

What is the SMILES notation for (3R,5R)-5-[3-(1,1,2-trifluoroethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-3-[2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ylamino]pyrrolidin-2-one?

The canonical SMILES for (3R,5R)-5-[3-(1,1,2-trifluoroethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-3-[2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ylamino]pyrrolidin-2-one is CC(C)(N[C@@H]1C[C@H](c2cccc(OC(F)(F)CF)c2)N(c2ccc(C(F)(F)F)cc2)C1=O)c1ccc(C(F)(F)F)nc1.

What is the InChIKey of (3R,5R)-5-[3-(1,1,2-trifluoroethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-3-[2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ylamino]pyrrolidin-2-one?

The InChIKey is PEFCQYMORPCCAY-FGZHOGPDSA-N. The full InChI is InChI=1S/C28H24F9N3O2/c1-25(2,18-8-11-23(38-14-18)28(35,36)37)39-21-13-22(16-4-3-5-20(12-16)42-26(30,31)15-29)40(24(21)41)19-9-6-17(7-10-19)27(32,33)34/h3-12,14,21-22,39H,13,15H2,1-2H3/t21-,22-/m1/s1.

What are the key properties of (3R,5R)-5-[3-(1,1,2-trifluoroethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-3-[2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ylamino]pyrrolidin-2-one?

(3R,5R)-5-[3-(1,1,2-trifluoroethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-3-[2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ylamino]pyrrolidin-2-one has a molecular weight of 605.50 g/mol, XLogP of 7.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,5R)-5-[3-(1,1,2-trifluoroethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]-3-[2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ylamino]pyrrolidin-2-one is sourced from PubChem (CID 24989715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).