N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]acetamide

C23H19N3O2 — CID 6404176

IUPACN-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2nnc(-c3ccc(C)cc3)c3ccccc23)cc1
InChIInChI=1S/C23H19N3O2/c1-15-7-9-17(10-8-15)22-20-5-3-4-6-21(20)23(26-25-22)28-19-13-11-18(12-14-19)24-16(2)27/h3-14H,1-2H3,(H,24,27)
InChIKeyXFEXQZSAZPHGCO-UHFFFAOYSA-N
MW369.42 g/mol
LogP5.36
Rot. Bonds4

About N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]acetamide

N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]acetamide (PubChem CID 6404176) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]acetamide
PubChem CID6404176
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC NameN-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2nnc(-c3ccc(C)cc3)c3ccccc23)cc1
InChIInChI=1S/C23H19N3O2/c1-15-7-9-17(10-8-15)22-20-5-3-4-6-21(20)23(26-25-22)28-19-13-11-18(12-14-19)24-16(2)27/h3-14H,1-2H3,(H,24,27)
InChIKeyXFEXQZSAZPHGCO-UHFFFAOYSA-N
XLogP5.36
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.42
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]acetamide 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-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]acetamide?
The IUPAC name of N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]acetamide (CID 6404176) is N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]acetamide.
What is the SMILES notation for N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]acetamide?
The canonical SMILES for N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]acetamide is CC(=O)Nc1ccc(Oc2nnc(-c3ccc(C)cc3)c3ccccc23)cc1.
What is the InChIKey of N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]acetamide?
The InChIKey is XFEXQZSAZPHGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-15-7-9-17(10-8-15)22-20-5-3-4-6-21(20)23(26-25-22)28-19-13-11-18(12-14-19)24-16(2)27/h3-14H,1-2H3,(H,24,27).
What are the key properties of N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]acetamide?
N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]acetamide has a molecular weight of 369.42 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-methylphenyl)phthalazin-1-yl]oxyphenyl]acetamide is sourced from PubChem (CID 6404176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).