2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide

C14H9Cl2F3N4O3 — CID 16531584

IUPAC2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H9Cl2F3N4O3/c15-6-3-21-23(14(26)11(6)16)5-10(25)20-4-9(24)22-8-2-1-7(17)12(18)13(8)19/h1-3H,4-5H2,(H,20,25)(H,22,24)
InChIKeyFVXRCARKRAJCJU-UHFFFAOYSA-N
MW409.15 g/mol
LogP1.72
Rot. Bonds5

About 2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide

2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 16531584) has the molecular formula C14H9Cl2F3N4O3 and a molecular weight of 409.15 g/mol. Its IUPAC name is 2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID16531584
Molecular FormulaC14H9Cl2F3N4O3
Molecular Weight409.15 g/mol
Exact Mass408.00
IUPAC Name2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H9Cl2F3N4O3/c15-6-3-21-23(14(26)11(6)16)5-10(25)20-4-9(24)22-8-2-1-7(17)12(18)13(8)19/h1-3H,4-5H2,(H,20,25)(H,22,24)
InChIKeyFVXRCARKRAJCJU-UHFFFAOYSA-N
XLogP1.72
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.15
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide (CID 16531584) is 2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide is O=C(Cn1ncc(Cl)c(Cl)c1=O)NCC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is FVXRCARKRAJCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F3N4O3/c15-6-3-21-23(14(26)11(6)16)5-10(25)20-4-9(24)22-8-2-1-7(17)12(18)13(8)19/h1-3H,4-5H2,(H,20,25)(H,22,24).
What are the key properties of 2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 409.15 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 16531584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).