N-[[5-(2-chlorophenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methyl]acetamide

C25H23ClF3N3O2 — CID 156815568

About N-[[5-(2-chlorophenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methyl]acetamide

N-[[5-(2-chlorophenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methyl]acetamide (PubChem CID 156815568) has the molecular formula C25H23ClF3N3O2 and a molecular weight of 489.93 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[5-(2-chlorophenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methyl]acetamide
• PubChem CID: 156815568
• Molecular Formula: C25H23ClF3N3O2
• Molecular Weight: 489.93 g/mol
• Exact Mass: 489.14
• IUPAC Name: N-[[5-(2-chlorophenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methyl]acetamide
• SMILES: CC(=O)NCc1cc(-c2ccccc2Cl)ccc1N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1
• InChI: InChI=1S/C25H23ClF3N3O2/c1-16(33)30-13-18-12-17(21-4-2-3-5-22(21)26)6-8-23(18)32-11-10-20(15-32)34-24-9-7-19(14-31-24)25(27,28)29/h2-9,12,14,20H,10-11,13,15H2,1H3,(H,30,33)/t20-/m0/s1
• InChIKey: UOOBJJWOFFAHCL-FQEVSTJZSA-N
• XLogP: 5.71
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.93
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methyl]acetamide?

The IUPAC name of N-[[5-(2-chlorophenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methyl]acetamide (CID 156815568) is N-[[5-(2-chlorophenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methyl]acetamide.

What is the SMILES notation for N-[[5-(2-chlorophenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methyl]acetamide?

The canonical SMILES for N-[[5-(2-chlorophenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methyl]acetamide is CC(=O)NCc1cc(-c2ccccc2Cl)ccc1N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1.

What is the InChIKey of N-[[5-(2-chlorophenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methyl]acetamide?

The InChIKey is UOOBJJWOFFAHCL-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H23ClF3N3O2/c1-16(33)30-13-18-12-17(21-4-2-3-5-22(21)26)6-8-23(18)32-11-10-20(15-32)34-24-9-7-19(14-31-24)25(27,28)29/h2-9,12,14,20H,10-11,13,15H2,1H3,(H,30,33)/t20-/m0/s1.

What are the key properties of N-[[5-(2-chlorophenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methyl]acetamide?

N-[[5-(2-chlorophenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methyl]acetamide has a molecular weight of 489.93 g/mol, XLogP of 5.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-(2-chlorophenyl)-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 156815568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).