HBPWEZFPXCJTQK-UHFFFAOYSA-N

C₁₉H₂₁ClF₃N₃ — CID 142322898

About HBPWEZFPXCJTQK-UHFFFAOYSA-N

HBPWEZFPXCJTQK-UHFFFAOYSA-N (PubChem CID 142322898) has the molecular formula C₁₉H₂₁ClF₃N₃ and a molecular weight of 383.85 g/mol. Its IUPAC name is N'-[2-chloro-5-methyl-4-[N-methyl-3-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

• Compound Name: HBPWEZFPXCJTQK-UHFFFAOYSA-N
• PubChem CID: 142322898
• Molecular Formula: C₁₉H₂₁ClF₃N₃
• Molecular Weight: 383.85 g/mol
• Exact Mass: 383.14
• IUPAC Name: N'-[2-chloro-5-methyl-4-[N-methyl-3-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide
• SMILES: CCN(C)/C=N/c1cc(C)c(N(C)c2cccc(C(F)(F)F)c2)cc1Cl
• InChI: InChI=1S/C19H21ClF3N3/c1-5-25(3)12-24-17-9-13(2)18(11-16(17)20)26(4)15-8-6-7-14(10-15)19(21,22)23/h6-12H,5H2,1-4H3/b24-12+
• InChIKey: HBPWEZFPXCJTQK-WYMPLXKRSA-N
• XLogP: 6.05
• TPSA: 18.84 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	383.85
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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 HBPWEZFPXCJTQK-UHFFFAOYSA-N?

The IUPAC name of HBPWEZFPXCJTQK-UHFFFAOYSA-N (CID 142322898) is N'-[2-chloro-5-methyl-4-[N-methyl-3-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide.

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

The canonical SMILES for HBPWEZFPXCJTQK-UHFFFAOYSA-N is CCN(C)/C=N/c1cc(C)c(N(C)c2cccc(C(F)(F)F)c2)cc1Cl.

What is the InChIKey of HBPWEZFPXCJTQK-UHFFFAOYSA-N?

The InChIKey is HBPWEZFPXCJTQK-WYMPLXKRSA-N. The full InChI is InChI=1S/C19H21ClF3N3/c1-5-25(3)12-24-17-9-13(2)18(11-16(17)20)26(4)15-8-6-7-14(10-15)19(21,22)23/h6-12H,5H2,1-4H3/b24-12+.

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

HBPWEZFPXCJTQK-UHFFFAOYSA-N has a molecular weight of 383.85 g/mol, XLogP of 6.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for HBPWEZFPXCJTQK-UHFFFAOYSA-N is sourced from PubChem (CID 142322898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142322898 — identifiers, structure, computed properties (public domain)

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