N-(3-acetamidophenyl)-2-phthalazin-1-yloxyacetamide

C18H16N4O3 — CID 6409396

IUPACN-(3-acetamidophenyl)-2-phthalazin-1-yloxyacetamide
SMILESCC(=O)Nc1cccc(NC(=O)COc2nncc3ccccc23)c1
InChIInChI=1S/C18H16N4O3/c1-12(23)20-14-6-4-7-15(9-14)21-17(24)11-25-18-16-8-3-2-5-13(16)10-19-22-18/h2-10H,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyBAHXWLDEFQJEAY-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.61
Rot. Bonds5

About N-(3-acetamidophenyl)-2-phthalazin-1-yloxyacetamide

N-(3-acetamidophenyl)-2-phthalazin-1-yloxyacetamide (PubChem CID 6409396) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-phthalazin-1-yloxyacetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-phthalazin-1-yloxyacetamide
PubChem CID6409396
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC NameN-(3-acetamidophenyl)-2-phthalazin-1-yloxyacetamide
SMILESCC(=O)Nc1cccc(NC(=O)COc2nncc3ccccc23)c1
InChIInChI=1S/C18H16N4O3/c1-12(23)20-14-6-4-7-15(9-14)21-17(24)11-25-18-16-8-3-2-5-13(16)10-19-22-18/h2-10H,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyBAHXWLDEFQJEAY-UHFFFAOYSA-N
XLogP2.61
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-acetamidophenyl)-2-phthalazin-1-yloxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-phthalazin-1-yloxyacetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-phthalazin-1-yloxyacetamide (CID 6409396) is N-(3-acetamidophenyl)-2-phthalazin-1-yloxyacetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-phthalazin-1-yloxyacetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-phthalazin-1-yloxyacetamide is CC(=O)Nc1cccc(NC(=O)COc2nncc3ccccc23)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-phthalazin-1-yloxyacetamide?
The InChIKey is BAHXWLDEFQJEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-12(23)20-14-6-4-7-15(9-14)21-17(24)11-25-18-16-8-3-2-5-13(16)10-19-22-18/h2-10H,11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(3-acetamidophenyl)-2-phthalazin-1-yloxyacetamide?
N-(3-acetamidophenyl)-2-phthalazin-1-yloxyacetamide has a molecular weight of 336.35 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-phthalazin-1-yloxyacetamide is sourced from PubChem (CID 6409396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).