CQZZGNAJJAJNQI-BHGWPJFGSA-N

C₁₉H₂₀ClF₃N₂O₂ — CID 135346369

About CQZZGNAJJAJNQI-BHGWPJFGSA-N

CQZZGNAJJAJNQI-BHGWPJFGSA-N (PubChem CID 135346369) has the molecular formula C₁₉H₂₀ClF₃N₂O₂ and a molecular weight of 400.83 g/mol. Its IUPAC name is N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

• Compound Name: CQZZGNAJJAJNQI-BHGWPJFGSA-N
• PubChem CID: 135346369
• Molecular Formula: C₁₉H₂₀ClF₃N₂O₂
• Molecular Weight: 400.83 g/mol
• Exact Mass: 400.12
• IUPAC Name: N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
• SMILES: CCN(C)/C=N/c1cc(OC)c(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1C
• InChI: InChI=1S/C19H20ClF3N2O2/c1-5-25(3)11-24-16-10-17(26-4)18(8-12(16)2)27-13-6-7-15(20)14(9-13)19(21,22)23/h6-11H,5H2,1-4H3/b24-11+
• InChIKey: CQZZGNAJJAJNQI-BHGWPJFGSA-N
• XLogP: 6.08
• TPSA: 34.06 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	400.83
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of CQZZGNAJJAJNQI-BHGWPJFGSA-N?

The IUPAC name of CQZZGNAJJAJNQI-BHGWPJFGSA-N (CID 135346369) is N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide.

What is the SMILES notation for CQZZGNAJJAJNQI-BHGWPJFGSA-N?

The canonical SMILES for CQZZGNAJJAJNQI-BHGWPJFGSA-N is CCN(C)/C=N/c1cc(OC)c(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1C.

What is the InChIKey of CQZZGNAJJAJNQI-BHGWPJFGSA-N?

The InChIKey is CQZZGNAJJAJNQI-BHGWPJFGSA-N. The full InChI is InChI=1S/C19H20ClF3N2O2/c1-5-25(3)11-24-16-10-17(26-4)18(8-12(16)2)27-13-6-7-15(20)14(9-13)19(21,22)23/h6-11H,5H2,1-4H3/b24-11+.

What are the key properties of CQZZGNAJJAJNQI-BHGWPJFGSA-N?

CQZZGNAJJAJNQI-BHGWPJFGSA-N has a molecular weight of 400.83 g/mol, XLogP of 6.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for CQZZGNAJJAJNQI-BHGWPJFGSA-N is sourced from PubChem (CID 135346369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135346369 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.