YLVFEXRWYDCAPV-UHFFFAOYSA-N

C₁₆H₁₁Cl₂F₃N₂O₃ — CID 152542515

About YLVFEXRWYDCAPV-UHFFFAOYSA-N

YLVFEXRWYDCAPV-UHFFFAOYSA-N (PubChem CID 152542515) has the molecular formula C₁₆H₁₁Cl₂F₃N₂O₃ and a molecular weight of 407.18 g/mol. Its IUPAC name is 2-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-N-ethoxy-2-oxoacetamide.

Molecular Properties

• Compound Name: YLVFEXRWYDCAPV-UHFFFAOYSA-N
• PubChem CID: 152542515
• Molecular Formula: C₁₆H₁₁Cl₂F₃N₂O₃
• Molecular Weight: 407.18 g/mol
• Exact Mass: 406.01
• IUPAC Name: 2-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-N-ethoxy-2-oxoacetamide
• SMILES: CCONC(=O)C(=O)c1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1Cl
• InChI: InChI=1S/C16H11Cl2F3N2O3/c1-2-26-23-15(25)14(24)10-5-8(3-4-11(10)17)13-12(18)6-9(7-22-13)16(19,20)21/h3-7H,2H2,1H3,(H,23,25)
• InChIKey: YLVFEXRWYDCAPV-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 68.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.18
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of YLVFEXRWYDCAPV-UHFFFAOYSA-N?

The IUPAC name of YLVFEXRWYDCAPV-UHFFFAOYSA-N (CID 152542515) is 2-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-N-ethoxy-2-oxoacetamide.

What is the SMILES notation for YLVFEXRWYDCAPV-UHFFFAOYSA-N?

The canonical SMILES for YLVFEXRWYDCAPV-UHFFFAOYSA-N is CCONC(=O)C(=O)c1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1Cl.

What is the InChIKey of YLVFEXRWYDCAPV-UHFFFAOYSA-N?

The InChIKey is YLVFEXRWYDCAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2F3N2O3/c1-2-26-23-15(25)14(24)10-5-8(3-4-11(10)17)13-12(18)6-9(7-22-13)16(19,20)21/h3-7H,2H2,1H3,(H,23,25).

What are the key properties of YLVFEXRWYDCAPV-UHFFFAOYSA-N?

YLVFEXRWYDCAPV-UHFFFAOYSA-N has a molecular weight of 407.18 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for YLVFEXRWYDCAPV-UHFFFAOYSA-N is sourced from PubChem (CID 152542515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 152542515 — identifiers, structure, computed properties (public domain)

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