2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-[[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]amino]propyl]acetamide

C19H16Cl2F6N4O2 — CID 3759280

About 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-[[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]amino]propyl]acetamide

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-[[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]amino]propyl]acetamide (PubChem CID 3759280) has the molecular formula C19H16Cl2F6N4O2 and a molecular weight of 517.26 g/mol. Its IUPAC name is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-[[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]amino]propyl]acetamide.

Molecular Properties

• Compound Name: 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-[[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]amino]propyl]acetamide
• PubChem CID: 3759280
• Molecular Formula: C19H16Cl2F6N4O2
• Molecular Weight: 517.26 g/mol
• Exact Mass: 516.06
• IUPAC Name: 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-[[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]amino]propyl]acetamide
• SMILES: O=C(Cc1ncc(C(F)(F)F)cc1Cl)NCCCNC(=O)Cc1ncc(C(F)(F)F)cc1Cl
• InChI: InChI=1S/C19H16Cl2F6N4O2/c20-12-4-10(18(22,23)24)8-30-14(12)6-16(32)28-2-1-3-29-17(33)7-15-13(21)5-11(9-31-15)19(25,26)27/h4-5,8-9H,1-3,6-7H2,(H,28,32)(H,29,33)
• InChIKey: HHMCNVCIRFWWEY-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 83.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.26
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-[[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]amino]propyl]acetamide?

The IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-[[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]amino]propyl]acetamide (CID 3759280) is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-[[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]amino]propyl]acetamide.

What is the SMILES notation for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-[[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]amino]propyl]acetamide?

The canonical SMILES for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-[[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]amino]propyl]acetamide is O=C(Cc1ncc(C(F)(F)F)cc1Cl)NCCCNC(=O)Cc1ncc(C(F)(F)F)cc1Cl.

What is the InChIKey of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-[[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]amino]propyl]acetamide?

The InChIKey is HHMCNVCIRFWWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2F6N4O2/c20-12-4-10(18(22,23)24)8-30-14(12)6-16(32)28-2-1-3-29-17(33)7-15-13(21)5-11(9-31-15)19(25,26)27/h4-5,8-9H,1-3,6-7H2,(H,28,32)(H,29,33).

What are the key properties of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-[[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]amino]propyl]acetamide?

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-[[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]amino]propyl]acetamide has a molecular weight of 517.26 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-[[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]amino]propyl]acetamide is sourced from PubChem (CID 3759280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).