4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-[2-(diethylamino)ethyl]benzamide

C25H28Cl2FN5O2 — CID 24959658

About 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-[2-(diethylamino)ethyl]benzamide

4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-[2-(diethylamino)ethyl]benzamide (PubChem CID 24959658) has the molecular formula C25H28Cl2FN5O2 and a molecular weight of 520.44 g/mol. Its IUPAC name is 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-[2-(diethylamino)ethyl]benzamide.

Molecular Properties

• Compound Name: 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-[2-(diethylamino)ethyl]benzamide
• PubChem CID: 24959658
• Molecular Formula: C25H28Cl2FN5O2
• Molecular Weight: 520.44 g/mol
• Exact Mass: 519.16
• IUPAC Name: 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-[2-(diethylamino)ethyl]benzamide
• SMILES: CCN(CC)CCNC(=O)c1ccc(-c2cc(OC(C)c3c(Cl)ccc(F)c3Cl)c(N)nn2)cc1
• InChI: InChI=1S/C25H28Cl2FN5O2/c1-4-33(5-2)13-12-30-25(34)17-8-6-16(7-9-17)20-14-21(24(29)32-31-20)35-15(3)22-18(26)10-11-19(28)23(22)27/h6-11,14-15H,4-5,12-13H2,1-3H3,(H2,29,32)(H,30,34)
• InChIKey: GDLPJMGKQMWNPL-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 93.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.44
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-[2-(diethylamino)ethyl]benzamide?

The IUPAC name of 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-[2-(diethylamino)ethyl]benzamide (CID 24959658) is 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-[2-(diethylamino)ethyl]benzamide.

What is the SMILES notation for 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-[2-(diethylamino)ethyl]benzamide?

The canonical SMILES for 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-[2-(diethylamino)ethyl]benzamide is CCN(CC)CCNC(=O)c1ccc(-c2cc(OC(C)c3c(Cl)ccc(F)c3Cl)c(N)nn2)cc1.

What is the InChIKey of 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-[2-(diethylamino)ethyl]benzamide?

The InChIKey is GDLPJMGKQMWNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28Cl2FN5O2/c1-4-33(5-2)13-12-30-25(34)17-8-6-16(7-9-17)20-14-21(24(29)32-31-20)35-15(3)22-18(26)10-11-19(28)23(22)27/h6-11,14-15H,4-5,12-13H2,1-3H3,(H2,29,32)(H,30,34).

What are the key properties of 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-[2-(diethylamino)ethyl]benzamide?

4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-[2-(diethylamino)ethyl]benzamide has a molecular weight of 520.44 g/mol, XLogP of 5.38, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-[2-(diethylamino)ethyl]benzamide is sourced from PubChem (CID 24959658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).