2-(4-methyl-1-oxophthalazin-2-yl)-N',N'-diphenylacetohydrazide

C23H20N4O2 — CID 55390619

IUPAC2-(4-methyl-1-oxophthalazin-2-yl)-N',N'-diphenylacetohydrazide
SMILESCc1nn(CC(=O)NN(c2ccccc2)c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C23H20N4O2/c1-17-20-14-8-9-15-21(20)23(29)26(24-17)16-22(28)25-27(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15H,16H2,1H3,(H,25,28)
InChIKeyCNDNPRWJKZXDCO-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.57
Rot. Bonds5

About 2-(4-methyl-1-oxophthalazin-2-yl)-N',N'-diphenylacetohydrazide

2-(4-methyl-1-oxophthalazin-2-yl)-N',N'-diphenylacetohydrazide (PubChem CID 55390619) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-(4-methyl-1-oxophthalazin-2-yl)-N',N'-diphenylacetohydrazide.

Molecular Properties

Compound Name2-(4-methyl-1-oxophthalazin-2-yl)-N',N'-diphenylacetohydrazide
PubChem CID55390619
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name2-(4-methyl-1-oxophthalazin-2-yl)-N',N'-diphenylacetohydrazide
SMILESCc1nn(CC(=O)NN(c2ccccc2)c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C23H20N4O2/c1-17-20-14-8-9-15-21(20)23(29)26(24-17)16-22(28)25-27(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15H,16H2,1H3,(H,25,28)
InChIKeyCNDNPRWJKZXDCO-UHFFFAOYSA-N
XLogP3.57
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-(2-oxopropyl)phthalazin-1-one
CID 58973560
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-methylphenyl)acetamide
CID 745849
N-(2-benzylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51208461
2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide
CID 46518026
N-[(2-methoxyphenyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51179207
4-methyl-2-(2-oxobutyl)phthalazin-1-one
CID 70794390
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 51208445
N-(2-chlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51208434
N-cyclooctyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51179223
N-(4-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 857342
2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylphenyl)acetamide
CID 17129197
N-(2-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 36526843

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)-N',N'-diphenylacetohydrazide?
The IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)-N',N'-diphenylacetohydrazide (CID 55390619) is 2-(4-methyl-1-oxophthalazin-2-yl)-N',N'-diphenylacetohydrazide.
What is the SMILES notation for 2-(4-methyl-1-oxophthalazin-2-yl)-N',N'-diphenylacetohydrazide?
The canonical SMILES for 2-(4-methyl-1-oxophthalazin-2-yl)-N',N'-diphenylacetohydrazide is Cc1nn(CC(=O)NN(c2ccccc2)c2ccccc2)c(=O)c2ccccc12.
What is the InChIKey of 2-(4-methyl-1-oxophthalazin-2-yl)-N',N'-diphenylacetohydrazide?
The InChIKey is CNDNPRWJKZXDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-17-20-14-8-9-15-21(20)23(29)26(24-17)16-22(28)25-27(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15H,16H2,1H3,(H,25,28).
What are the key properties of 2-(4-methyl-1-oxophthalazin-2-yl)-N',N'-diphenylacetohydrazide?
2-(4-methyl-1-oxophthalazin-2-yl)-N',N'-diphenylacetohydrazide has a molecular weight of 384.44 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1-oxophthalazin-2-yl)-N',N'-diphenylacetohydrazide is sourced from PubChem (CID 55390619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).