5-benzoyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide;5-benzoyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzonitrile;(4-fluoro-3-isocyanophenyl)-phenylmethanone;2-[(3R)-pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine

C72H57F10N9O7 — CID 167710536

About 5-benzoyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide;5-benzoyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzonitrile;(4-fluoro-3-isocyanophenyl)-phenylmethanone;2-[(3R)-pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine

5-benzoyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide;5-benzoyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzonitrile;(4-fluoro-3-isocyanophenyl)-phenylmethanone;2-[(3R)-pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine (PubChem CID 167710536) has the molecular formula C72H57F10N9O7 and a molecular weight of 1350.28 g/mol. Its IUPAC name is 5-benzoyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide;5-benzoyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzonitrile;(4-fluoro-3-isocyanophenyl)-phenylmethanone;2-[(3R)-pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 5-benzoyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide;5-benzoyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzonitrile;(4-fluoro-3-isocyanophenyl)-phenylmethanone;2-[(3R)-pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
• PubChem CID: 167710536
• Molecular Formula: C72H57F10N9O7
• Molecular Weight: 1350.28 g/mol
• Exact Mass: 1349.42
• IUPAC Name: 5-benzoyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide;5-benzoyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzonitrile;(4-fluoro-3-isocyanophenyl)-phenylmethanone;2-[(3R)-pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
• SMILES: FC(F)(F)c1ccc(O[C@@H]2CCNC2)nc1.N#Cc1cc(C(=O)c2ccccc2)ccc1N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1.NC(=O)c1cc(C(=O)c2ccccc2)ccc1N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1.[C-]#[N+]c1cc(C(=O)c2ccccc2)ccc1F
• InChI: InChI=1S/C24H20F3N3O3.C24H18F3N3O2.C14H8FNO.C10H11F3N2O/c25-24(26,27)17-7-9-21(29-13-17)33-18-10-11-30(14-18)20-8-6-16(12-19(20)23(28)32)22(31)15-4-2-1-3-5-15;25-24(26,27)19-7-9-22(29-14-19)32-20-10-11-30(15-20)21-8-6-17(12-18(21)13-28)23(31)16-4-2-1-3-5-16;1-16-13-9-11(7-8-12(13)15)14(17)10-5-3-2-4-6-10;11-10(12,13)7-1-2-9(15-5-7)16-8-3-4-14-6-8/h1-9,12-13,18H,10-11,14H2,(H2,28,32);1-9,12,14,20H,10-11,15H2;2-9H;1-2,5,8,14H,3-4,6H2/t18-;20-;;8-/m11.1/s1
• InChIKey: ZTOCZTMYGNFACU-GXHCYKAJSA-N
• XLogP: 14.40
• TPSA: 207.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 15
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1350.28
LogP ≤ 5	14.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide;5-benzoyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzonitrile;(4-fluoro-3-isocyanophenyl)-phenylmethanone;2-[(3R)-pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine?

The IUPAC name of 5-benzoyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide;5-benzoyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzonitrile;(4-fluoro-3-isocyanophenyl)-phenylmethanone;2-[(3R)-pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine (CID 167710536) is 5-benzoyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide;5-benzoyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzonitrile;(4-fluoro-3-isocyanophenyl)-phenylmethanone;2-[(3R)-pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine.

What is the SMILES notation for 5-benzoyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide;5-benzoyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzonitrile;(4-fluoro-3-isocyanophenyl)-phenylmethanone;2-[(3R)-pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine?

The canonical SMILES for 5-benzoyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide;5-benzoyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzonitrile;(4-fluoro-3-isocyanophenyl)-phenylmethanone;2-[(3R)-pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(O[C@@H]2CCNC2)nc1.N#Cc1cc(C(=O)c2ccccc2)ccc1N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1.NC(=O)c1cc(C(=O)c2ccccc2)ccc1N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1.[C-]#[N+]c1cc(C(=O)c2ccccc2)ccc1F.

What is the InChIKey of 5-benzoyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide;5-benzoyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzonitrile;(4-fluoro-3-isocyanophenyl)-phenylmethanone;2-[(3R)-pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine?

The InChIKey is ZTOCZTMYGNFACU-GXHCYKAJSA-N. The full InChI is InChI=1S/C24H20F3N3O3.C24H18F3N3O2.C14H8FNO.C10H11F3N2O/c25-24(26,27)17-7-9-21(29-13-17)33-18-10-11-30(14-18)20-8-6-16(12-19(20)23(28)32)22(31)15-4-2-1-3-5-15;25-24(26,27)19-7-9-22(29-14-19)32-20-10-11-30(15-20)21-8-6-17(12-18(21)13-28)23(31)16-4-2-1-3-5-16;1-16-13-9-11(7-8-12(13)15)14(17)10-5-3-2-4-6-10;11-10(12,13)7-1-2-9(15-5-7)16-8-3-4-14-6-8/h1-9,12-13,18H,10-11,14H2,(H2,28,32);1-9,12,14,20H,10-11,15H2;2-9H;1-2,5,8,14H,3-4,6H2/t18-;20-;;8-/m11.1/s1.

What are the key properties of 5-benzoyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide;5-benzoyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzonitrile;(4-fluoro-3-isocyanophenyl)-phenylmethanone;2-[(3R)-pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine?

5-benzoyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide;5-benzoyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzonitrile;(4-fluoro-3-isocyanophenyl)-phenylmethanone;2-[(3R)-pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine has a molecular weight of 1350.28 g/mol, XLogP of 14.40, 15 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzoyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzamide;5-benzoyl-2-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]benzonitrile;(4-fluoro-3-isocyanophenyl)-phenylmethanone;2-[(3R)-pyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 167710536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).