N'-[1-(3-chlorophenyl)-2-(4-chlorophenyl)ethyl]-2-methyl-N'-propyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanehydrazide

C27H28Cl2F3N3O2 — CID 11512352

About N'-[1-(3-chlorophenyl)-2-(4-chlorophenyl)ethyl]-2-methyl-N'-propyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanehydrazide

N'-[1-(3-chlorophenyl)-2-(4-chlorophenyl)ethyl]-2-methyl-N'-propyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanehydrazide (PubChem CID 11512352) has the molecular formula C27H28Cl2F3N3O2 and a molecular weight of 554.44 g/mol. Its IUPAC name is N'-[1-(3-chlorophenyl)-2-(4-chlorophenyl)ethyl]-2-methyl-N'-propyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanehydrazide.

Molecular Properties

• Compound Name: N'-[1-(3-chlorophenyl)-2-(4-chlorophenyl)ethyl]-2-methyl-N'-propyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanehydrazide
• PubChem CID: 11512352
• Molecular Formula: C27H28Cl2F3N3O2
• Molecular Weight: 554.44 g/mol
• Exact Mass: 553.15
• IUPAC Name: N'-[1-(3-chlorophenyl)-2-(4-chlorophenyl)ethyl]-2-methyl-N'-propyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanehydrazide
• SMILES: CCCN(NC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)C(Cc1ccc(Cl)cc1)c1cccc(Cl)c1
• InChI: InChI=1S/C27H28Cl2F3N3O2/c1-4-14-35(23(19-6-5-7-22(29)16-19)15-18-8-11-21(28)12-9-18)34-25(36)26(2,3)37-24-13-10-20(17-33-24)27(30,31)32/h5-13,16-17,23H,4,14-15H2,1-3H3,(H,34,36)
• InChIKey: XPXVQRPWFIWHQE-UHFFFAOYSA-N
• XLogP: 7.29
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.44
LogP ≤ 5	7.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3-chlorophenyl)-2-(4-chlorophenyl)ethyl]-2-methyl-N'-propyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanehydrazide?

The IUPAC name of N'-[1-(3-chlorophenyl)-2-(4-chlorophenyl)ethyl]-2-methyl-N'-propyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanehydrazide (CID 11512352) is N'-[1-(3-chlorophenyl)-2-(4-chlorophenyl)ethyl]-2-methyl-N'-propyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanehydrazide.

What is the SMILES notation for N'-[1-(3-chlorophenyl)-2-(4-chlorophenyl)ethyl]-2-methyl-N'-propyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanehydrazide?

The canonical SMILES for N'-[1-(3-chlorophenyl)-2-(4-chlorophenyl)ethyl]-2-methyl-N'-propyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanehydrazide is CCCN(NC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)C(Cc1ccc(Cl)cc1)c1cccc(Cl)c1.

What is the InChIKey of N'-[1-(3-chlorophenyl)-2-(4-chlorophenyl)ethyl]-2-methyl-N'-propyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanehydrazide?

The InChIKey is XPXVQRPWFIWHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28Cl2F3N3O2/c1-4-14-35(23(19-6-5-7-22(29)16-19)15-18-8-11-21(28)12-9-18)34-25(36)26(2,3)37-24-13-10-20(17-33-24)27(30,31)32/h5-13,16-17,23H,4,14-15H2,1-3H3,(H,34,36).

What are the key properties of N'-[1-(3-chlorophenyl)-2-(4-chlorophenyl)ethyl]-2-methyl-N'-propyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanehydrazide?

N'-[1-(3-chlorophenyl)-2-(4-chlorophenyl)ethyl]-2-methyl-N'-propyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanehydrazide has a molecular weight of 554.44 g/mol, XLogP of 7.29, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[1-(3-chlorophenyl)-2-(4-chlorophenyl)ethyl]-2-methyl-N'-propyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanehydrazide is sourced from PubChem (CID 11512352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).