N-(2-hydroxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide

C21H15N3O3 — CID 39949913

IUPACN-(2-hydroxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESO=C(Nc1ccccc1O)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C21H15N3O3/c25-18-13-7-6-12-17(18)22-20(26)19-15-10-4-5-11-16(15)21(27)24(23-19)14-8-2-1-3-9-14/h1-13,25H,(H,22,26)
InChIKeyWSFUQYRCPLDJQE-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.34
Rot. Bonds3

About N-(2-hydroxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide

N-(2-hydroxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide (PubChem CID 39949913) has the molecular formula C21H15N3O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
PubChem CID39949913
Molecular FormulaC21H15N3O3
Molecular Weight357.37 g/mol
Exact Mass357.11
IUPAC NameN-(2-hydroxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESO=C(Nc1ccccc1O)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C21H15N3O3/c25-18-13-7-6-12-17(18)22-20(26)19-15-10-4-5-11-16(15)21(27)24(23-19)14-8-2-1-3-9-14/h1-13,25H,(H,22,26)
InChIKeyWSFUQYRCPLDJQE-UHFFFAOYSA-N
XLogP3.34
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-iodophenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 4811491
4-oxo-3-phenyl-N-[2-(trifluoromethoxy)phenyl]phthalazine-1-carboxamide
CID 35202250
N-(4-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 8760225
N-(5-fluoro-2-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 4810818
N-(4-tert-butylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 7914088
N',N'-dimethyl-4-oxo-3-phenylphthalazine-1-carbohydrazide
CID 9163904
N-(2,5-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2083465
3-(4-chlorophenyl)-4-oxo-N-phenylphthalazine-1-carboxamide
CID 2805931
N-(4-chloro-2,5-dimethoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 26884366
4-oxo-3-phenyl-N-(3-sulfamoylphenyl)phthalazine-1-carboxamide
CID 4020636
4-oxo-3-phenyl-N-(1-phenylethyl)phthalazine-1-carboxamide
CID 78583454
N-(2-hydroxyphenyl)-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
CID 8553640

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide?
The IUPAC name of N-(2-hydroxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide (CID 39949913) is N-(2-hydroxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide?
The canonical SMILES for N-(2-hydroxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide is O=C(Nc1ccccc1O)c1nn(-c2ccccc2)c(=O)c2ccccc12.
What is the InChIKey of N-(2-hydroxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide?
The InChIKey is WSFUQYRCPLDJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O3/c25-18-13-7-6-12-17(18)22-20(26)19-15-10-4-5-11-16(15)21(27)24(23-19)14-8-2-1-3-9-14/h1-13,25H,(H,22,26).
What are the key properties of N-(2-hydroxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide?
N-(2-hydroxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide has a molecular weight of 357.37 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide is sourced from PubChem (CID 39949913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).