N-[3-[1-[3-[4-(4-chlorophenyl)-7-fluoro-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide

C30H30ClFN4O2 — CID 57392546

About N-[3-[1-[3-[4-(4-chlorophenyl)-7-fluoro-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide

N-[3-[1-[3-[4-(4-chlorophenyl)-7-fluoro-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide (PubChem CID 57392546) has the molecular formula C30H30ClFN4O2 and a molecular weight of 533.05 g/mol. Its IUPAC name is N-[3-[1-[3-[4-(4-chlorophenyl)-7-fluoro-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[3-[1-[3-[4-(4-chlorophenyl)-7-fluoro-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
• PubChem CID: 57392546
• Molecular Formula: C30H30ClFN4O2
• Molecular Weight: 533.05 g/mol
• Exact Mass: 532.20
• IUPAC Name: N-[3-[1-[3-[4-(4-chlorophenyl)-7-fluoro-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
• SMILES: CC(=O)Nc1cccc(C2CCN(CCCn3nc(-c4ccc(Cl)cc4)c4ccc(F)cc4c3=O)CC2)c1
• InChI: InChI=1S/C30H30ClFN4O2/c1-20(37)33-26-5-2-4-23(18-26)21-12-16-35(17-13-21)14-3-15-36-30(38)28-19-25(32)10-11-27(28)29(34-36)22-6-8-24(31)9-7-22/h2,4-11,18-19,21H,3,12-17H2,1H3,(H,33,37)
• InChIKey: JDZUOOLTFGPZIL-UHFFFAOYSA-N
• XLogP: 6.08
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.05
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[3-[4-(4-chlorophenyl)-7-fluoro-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide?

The IUPAC name of N-[3-[1-[3-[4-(4-chlorophenyl)-7-fluoro-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide (CID 57392546) is N-[3-[1-[3-[4-(4-chlorophenyl)-7-fluoro-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide.

What is the SMILES notation for N-[3-[1-[3-[4-(4-chlorophenyl)-7-fluoro-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide?

The canonical SMILES for N-[3-[1-[3-[4-(4-chlorophenyl)-7-fluoro-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(C2CCN(CCCn3nc(-c4ccc(Cl)cc4)c4ccc(F)cc4c3=O)CC2)c1.

What is the InChIKey of N-[3-[1-[3-[4-(4-chlorophenyl)-7-fluoro-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide?

The InChIKey is JDZUOOLTFGPZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30ClFN4O2/c1-20(37)33-26-5-2-4-23(18-26)21-12-16-35(17-13-21)14-3-15-36-30(38)28-19-25(32)10-11-27(28)29(34-36)22-6-8-24(31)9-7-22/h2,4-11,18-19,21H,3,12-17H2,1H3,(H,33,37).

What are the key properties of N-[3-[1-[3-[4-(4-chlorophenyl)-7-fluoro-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide?

N-[3-[1-[3-[4-(4-chlorophenyl)-7-fluoro-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide has a molecular weight of 533.05 g/mol, XLogP of 6.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[1-[3-[4-(4-chlorophenyl)-7-fluoro-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 57392546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).