2-(1,3-dioxoisoindol-2-yl)-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]acetamide

C22H17FN4O4 — CID 121033501

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NCCn1nc(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C22H17FN4O4/c23-15-7-5-14(6-8-15)18-9-10-20(29)27(25-18)12-11-24-19(28)13-26-21(30)16-3-1-2-4-17(16)22(26)31/h1-10H,11-13H2,(H,24,28)
InChIKeyIBVGBLNSWFRLKY-UHFFFAOYSA-N
MW420.40 g/mol
LogP1.46
Rot. Bonds6

About 2-(1,3-dioxoisoindol-2-yl)-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]acetamide

2-(1,3-dioxoisoindol-2-yl)-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]acetamide (PubChem CID 121033501) has the molecular formula C22H17FN4O4 and a molecular weight of 420.40 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
PubChem CID121033501
Molecular FormulaC22H17FN4O4
Molecular Weight420.40 g/mol
Exact Mass420.12
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NCCn1nc(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C22H17FN4O4/c23-15-7-5-14(6-8-15)18-9-10-20(29)27(25-18)12-11-24-19(28)13-26-21(30)16-3-1-2-4-17(16)22(26)31/h1-10H,11-13H2,(H,24,28)
InChIKeyIBVGBLNSWFRLKY-UHFFFAOYSA-N
XLogP1.46
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]acetamide (CID 121033501) is 2-(1,3-dioxoisoindol-2-yl)-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]acetamide is O=C(CN1C(=O)c2ccccc2C1=O)NCCn1nc(-c2ccc(F)cc2)ccc1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]acetamide?
The InChIKey is IBVGBLNSWFRLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O4/c23-15-7-5-14(6-8-15)18-9-10-20(29)27(25-18)12-11-24-19(28)13-26-21(30)16-3-1-2-4-17(16)22(26)31/h1-10H,11-13H2,(H,24,28).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]acetamide has a molecular weight of 420.40 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 121033501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).