9-fluoro-5-(4-fluorophenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine

C22H21F2N3 — CID 66964885

About 9-fluoro-5-(4-fluorophenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine

9-fluoro-5-(4-fluorophenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine (PubChem CID 66964885) has the molecular formula C22H21F2N3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 9-fluoro-5-(4-fluorophenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine.

Molecular Properties

• Compound Name: 9-fluoro-5-(4-fluorophenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine
• PubChem CID: 66964885
• Molecular Formula: C22H21F2N3
• Molecular Weight: 365.43 g/mol
• Exact Mass: 365.17
• IUPAC Name: 9-fluoro-5-(4-fluorophenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine
• SMILES: Cc1ccc(-c2ccc3c(c2F)CN(C)CCC3c2ccc(F)cc2)nn1
• InChI: InChI=1S/C22H21F2N3/c1-14-3-10-21(26-25-14)19-9-8-18-17(15-4-6-16(23)7-5-15)11-12-27(2)13-20(18)22(19)24/h3-10,17H,11-13H2,1-2H3
• InChIKey: DVSNZCLNXKZDAZ-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 29.02 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.43
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-5-(4-fluorophenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine?

The IUPAC name of 9-fluoro-5-(4-fluorophenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine (CID 66964885) is 9-fluoro-5-(4-fluorophenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine.

What is the SMILES notation for 9-fluoro-5-(4-fluorophenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine?

The canonical SMILES for 9-fluoro-5-(4-fluorophenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine is Cc1ccc(-c2ccc3c(c2F)CN(C)CCC3c2ccc(F)cc2)nn1.

What is the InChIKey of 9-fluoro-5-(4-fluorophenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine?

The InChIKey is DVSNZCLNXKZDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3/c1-14-3-10-21(26-25-14)19-9-8-18-17(15-4-6-16(23)7-5-15)11-12-27(2)13-20(18)22(19)24/h3-10,17H,11-13H2,1-2H3.

What are the key properties of 9-fluoro-5-(4-fluorophenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine?

9-fluoro-5-(4-fluorophenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine has a molecular weight of 365.43 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-fluoro-5-(4-fluorophenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine is sourced from PubChem (CID 66964885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).