N-(4-hydroxyphenyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide

C22H17N3O3 — CID 1125222

IUPACN-(4-hydroxyphenyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)Nc1ccc(O)cc1
InChIInChI=1S/C22H17N3O3/c26-17-12-10-16(11-13-17)23-20(27)14-25-22(28)19-9-5-4-8-18(19)21(24-25)15-6-2-1-3-7-15/h1-13,26H,14H2,(H,23,27)
InChIKeyFWXHCMGPHIPQDQ-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.41
Rot. Bonds4

About N-(4-hydroxyphenyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide

N-(4-hydroxyphenyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide (PubChem CID 1125222) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide
PubChem CID1125222
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC NameN-(4-hydroxyphenyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)Nc1ccc(O)cc1
InChIInChI=1S/C22H17N3O3/c26-17-12-10-16(11-13-17)23-20(27)14-25-22(28)19-9-5-4-8-18(19)21(24-25)15-6-2-1-3-7-15/h1-13,26H,14H2,(H,23,27)
InChIKeyFWXHCMGPHIPQDQ-UHFFFAOYSA-N
XLogP3.41
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide?
The IUPAC name of N-(4-hydroxyphenyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide (CID 1125222) is N-(4-hydroxyphenyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide?
The canonical SMILES for N-(4-hydroxyphenyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide is O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)Nc1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide?
The InChIKey is FWXHCMGPHIPQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c26-17-12-10-16(11-13-17)23-20(27)14-25-22(28)19-9-5-4-8-18(19)21(24-25)15-6-2-1-3-7-15/h1-13,26H,14H2,(H,23,27).
What are the key properties of N-(4-hydroxyphenyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide?
N-(4-hydroxyphenyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide has a molecular weight of 371.40 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide is sourced from PubChem (CID 1125222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).