phenyl-[2-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]phenyl]methanone

C24H19F3N2O3 — CID 91625422

About phenyl-[2-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]phenyl]methanone

phenyl-[2-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]phenyl]methanone (PubChem CID 91625422) has the molecular formula C24H19F3N2O3 and a molecular weight of 440.42 g/mol. Its IUPAC name is phenyl-[2-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]phenyl]methanone.

Molecular Properties

• Compound Name: phenyl-[2-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]phenyl]methanone
• PubChem CID: 91625422
• Molecular Formula: C24H19F3N2O3
• Molecular Weight: 440.42 g/mol
• Exact Mass: 440.13
• IUPAC Name: phenyl-[2-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]phenyl]methanone
• SMILES: O=C(c1ccccc1)c1ccccc1C(=O)N1CCC(Oc2cc(C(F)(F)F)ccn2)C1
• InChI: InChI=1S/C24H19F3N2O3/c25-24(26,27)17-10-12-28-21(14-17)32-18-11-13-29(15-18)23(31)20-9-5-4-8-19(20)22(30)16-6-2-1-3-7-16/h1-10,12,14,18H,11,13,15H2
• InChIKey: KPGJXWPRMXVLOM-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 59.50 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.42
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of phenyl-[2-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]phenyl]methanone?

The IUPAC name of phenyl-[2-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]phenyl]methanone (CID 91625422) is phenyl-[2-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]phenyl]methanone.

What is the SMILES notation for phenyl-[2-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]phenyl]methanone?

The canonical SMILES for phenyl-[2-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]phenyl]methanone is O=C(c1ccccc1)c1ccccc1C(=O)N1CCC(Oc2cc(C(F)(F)F)ccn2)C1.

What is the InChIKey of phenyl-[2-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]phenyl]methanone?

The InChIKey is KPGJXWPRMXVLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2O3/c25-24(26,27)17-10-12-28-21(14-17)32-18-11-13-29(15-18)23(31)20-9-5-4-8-19(20)22(30)16-6-2-1-3-7-16/h1-10,12,14,18H,11,13,15H2.

What are the key properties of phenyl-[2-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]phenyl]methanone?

phenyl-[2-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]phenyl]methanone has a molecular weight of 440.42 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for phenyl-[2-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]phenyl]methanone is sourced from PubChem (CID 91625422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).