N'-(4-methylbenzoyl)-4-oxo-3-phenylphthalazine-1-carbohydrazide

C23H18N4O3 — CID 2483637

IUPACN'-(4-methylbenzoyl)-4-oxo-3-phenylphthalazine-1-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C23H18N4O3/c1-15-11-13-16(14-12-15)21(28)24-25-22(29)20-18-9-5-6-10-19(18)23(30)27(26-20)17-7-3-2-4-8-17/h2-14H,1H3,(H,24,28)(H,25,29)
InChIKeyCEUHLHCURTZWSM-UHFFFAOYSA-N
MW398.42 g/mol
LogP2.77
Rot. Bonds3

About N'-(4-methylbenzoyl)-4-oxo-3-phenylphthalazine-1-carbohydrazide

N'-(4-methylbenzoyl)-4-oxo-3-phenylphthalazine-1-carbohydrazide (PubChem CID 2483637) has the molecular formula C23H18N4O3 and a molecular weight of 398.42 g/mol. Its IUPAC name is N'-(4-methylbenzoyl)-4-oxo-3-phenylphthalazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-(4-methylbenzoyl)-4-oxo-3-phenylphthalazine-1-carbohydrazide
PubChem CID2483637
Molecular FormulaC23H18N4O3
Molecular Weight398.42 g/mol
Exact Mass398.14
IUPAC NameN'-(4-methylbenzoyl)-4-oxo-3-phenylphthalazine-1-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C23H18N4O3/c1-15-11-13-16(14-12-15)21(28)24-25-22(29)20-18-9-5-6-10-19(18)23(30)27(26-20)17-7-3-2-4-8-17/h2-14H,1H3,(H,24,28)(H,25,29)
InChIKeyCEUHLHCURTZWSM-UHFFFAOYSA-N
XLogP2.77
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 8760225
N',N'-dimethyl-4-oxo-3-phenylphthalazine-1-carbohydrazide
CID 9163904
(4-methylphenyl)methyl 4-oxo-3-phenylphthalazine-1-carboxylate
CID 7184687
N-(4-tert-butylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 7914088
N-[(2-methylphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 9104456
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 135725863
4-oxo-3-phenyl-N-(1-phenylethyl)phthalazine-1-carboxamide
CID 78583454
N-(2-hydroxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 39949913
N-(3-methylbutyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2409947
4-oxo-N-pentyl-3-phenylphthalazine-1-carboxamide
CID 7779349
3-ethyl-N'-[4-(5-methylpyrazol-1-yl)benzoyl]-4-oxophthalazine-1-carbohydrazide
CID 9369876
N-[2-(2,6-dimethylphenoxy)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 55724601

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylbenzoyl)-4-oxo-3-phenylphthalazine-1-carbohydrazide?
The IUPAC name of N'-(4-methylbenzoyl)-4-oxo-3-phenylphthalazine-1-carbohydrazide (CID 2483637) is N'-(4-methylbenzoyl)-4-oxo-3-phenylphthalazine-1-carbohydrazide.
What is the SMILES notation for N'-(4-methylbenzoyl)-4-oxo-3-phenylphthalazine-1-carbohydrazide?
The canonical SMILES for N'-(4-methylbenzoyl)-4-oxo-3-phenylphthalazine-1-carbohydrazide is Cc1ccc(C(=O)NNC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)cc1.
What is the InChIKey of N'-(4-methylbenzoyl)-4-oxo-3-phenylphthalazine-1-carbohydrazide?
The InChIKey is CEUHLHCURTZWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3/c1-15-11-13-16(14-12-15)21(28)24-25-22(29)20-18-9-5-6-10-19(18)23(30)27(26-20)17-7-3-2-4-8-17/h2-14H,1H3,(H,24,28)(H,25,29).
What are the key properties of N'-(4-methylbenzoyl)-4-oxo-3-phenylphthalazine-1-carbohydrazide?
N'-(4-methylbenzoyl)-4-oxo-3-phenylphthalazine-1-carbohydrazide has a molecular weight of 398.42 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylbenzoyl)-4-oxo-3-phenylphthalazine-1-carbohydrazide is sourced from PubChem (CID 2483637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).