N-[2-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)butyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide

C25H24Cl2F3N3O2 — CID 69145260

About N-[2-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)butyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide

N-[2-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)butyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (PubChem CID 69145260) has the molecular formula C25H24Cl2F3N3O2 and a molecular weight of 526.39 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)butyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.

Molecular Properties

• Compound Name: N-[2-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)butyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
• PubChem CID: 69145260
• Molecular Formula: C25H24Cl2F3N3O2
• Molecular Weight: 526.39 g/mol
• Exact Mass: 525.12
• IUPAC Name: N-[2-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)butyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
• SMILES: CC(c1ccc(Cl)cn1)C(CNC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)c1cccc(Cl)c1
• InChI: InChI=1S/C25H24Cl2F3N3O2/c1-15(21-9-8-19(27)13-31-21)20(16-5-4-6-18(26)11-16)14-33-23(34)24(2,3)35-22-10-7-17(12-32-22)25(28,29)30/h4-13,15,20H,14H2,1-3H3,(H,33,34)
• InChIKey: ZHWOWBIBBWTTNF-UHFFFAOYSA-N
• XLogP: 6.66
• TPSA: 64.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.39
LogP ≤ 5	6.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)butyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?

The IUPAC name of N-[2-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)butyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (CID 69145260) is N-[2-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)butyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.

What is the SMILES notation for N-[2-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)butyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?

The canonical SMILES for N-[2-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)butyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is CC(c1ccc(Cl)cn1)C(CNC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)c1cccc(Cl)c1.

What is the InChIKey of N-[2-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)butyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?

The InChIKey is ZHWOWBIBBWTTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2F3N3O2/c1-15(21-9-8-19(27)13-31-21)20(16-5-4-6-18(26)11-16)14-33-23(34)24(2,3)35-22-10-7-17(12-32-22)25(28,29)30/h4-13,15,20H,14H2,1-3H3,(H,33,34).

What are the key properties of N-[2-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)butyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?

N-[2-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)butyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide has a molecular weight of 526.39 g/mol, XLogP of 6.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-chlorophenyl)-3-(5-chloro-2-pyridinyl)butyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is sourced from PubChem (CID 69145260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).