N-(3-benzoylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

C24H19N3O3 — CID 17122264

IUPACN-(3-benzoylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCn1nc(CC(=O)Nc2cccc(C(=O)c3ccccc3)c2)c2ccccc2c1=O
InChIInChI=1S/C24H19N3O3/c1-27-24(30)20-13-6-5-12-19(20)21(26-27)15-22(28)25-18-11-7-10-17(14-18)23(29)16-8-3-2-4-9-16/h2-14H,15H2,1H3,(H,25,28)
InChIKeyJIDIJCLABWTVJF-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.35
Rot. Bonds5

About N-(3-benzoylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

N-(3-benzoylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 17122264) has the molecular formula C24H19N3O3 and a molecular weight of 397.43 g/mol. Its IUPAC name is N-(3-benzoylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-benzoylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID17122264
Molecular FormulaC24H19N3O3
Molecular Weight397.43 g/mol
Exact Mass397.14
IUPAC NameN-(3-benzoylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCn1nc(CC(=O)Nc2cccc(C(=O)c3ccccc3)c2)c2ccccc2c1=O
InChIInChI=1S/C24H19N3O3/c1-27-24(30)20-13-6-5-12-19(20)21(26-27)15-22(28)25-18-11-7-10-17(14-18)23(29)16-8-3-2-4-9-16/h2-14H,15H2,1H3,(H,25,28)
InChIKeyJIDIJCLABWTVJF-UHFFFAOYSA-N
XLogP3.35
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]benzamide
CID 55796721
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 17321943
N-(2-hydroxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 17400514
N-dibenzofuran-2-yl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 71552342
2-methyl-N-[4-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide
CID 30754178
N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 34607272
N-(3,5-difluoro-4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 71890002
N-(1H-indol-6-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 56761805
N-[4-chloro-3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide
CID 55799265
N-(1,3-benzoxazol-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 71552259
N-(4-ethoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 7578327
N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55457066

Frequently Asked Questions

What is the IUPAC name of N-(3-benzoylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-(3-benzoylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 17122264) is N-(3-benzoylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-(3-benzoylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-(3-benzoylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is Cn1nc(CC(=O)Nc2cccc(C(=O)c3ccccc3)c2)c2ccccc2c1=O.
What is the InChIKey of N-(3-benzoylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is JIDIJCLABWTVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3/c1-27-24(30)20-13-6-5-12-19(20)21(26-27)15-22(28)25-18-11-7-10-17(14-18)23(29)16-8-3-2-4-9-16/h2-14H,15H2,1H3,(H,25,28).
What are the key properties of N-(3-benzoylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-(3-benzoylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 397.43 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzoylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 17122264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).