N-[3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]benzamide

C24H20N4O3 — CID 55796721

IUPACN-[3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]benzamide
SMILESCn1nc(CC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c2ccccc2c1=O
InChIInChI=1S/C24H20N4O3/c1-28-24(31)20-13-6-5-12-19(20)21(27-28)15-22(29)25-17-10-7-11-18(14-17)26-23(30)16-8-3-2-4-9-16/h2-14H,15H2,1H3,(H,25,29)(H,26,30)
InChIKeySXLMANYTYSVACR-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.37
Rot. Bonds5

About N-[3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]benzamide

N-[3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]benzamide (PubChem CID 55796721) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-[3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]benzamide
PubChem CID55796721
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC NameN-[3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]benzamide
SMILESCn1nc(CC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c2ccccc2c1=O
InChIInChI=1S/C24H20N4O3/c1-28-24(31)20-13-6-5-12-19(20)21(27-28)15-22(29)25-17-10-7-11-18(14-17)26-23(30)16-8-3-2-4-9-16/h2-14H,15H2,1H3,(H,25,29)(H,26,30)
InChIKeySXLMANYTYSVACR-UHFFFAOYSA-N
XLogP3.37
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-benzoylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 17122264
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 17321943
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-(1,3-benzoxazol-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 71552259
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-(2-hydroxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 17400514
N-[4-chloro-3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide
CID 55799265
N-(4-ethoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 7578327
2-(3-methyl-4-oxophthalazin-1-yl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]acetamide
CID 51132977

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]benzamide?
The IUPAC name of N-[3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]benzamide (CID 55796721) is N-[3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]benzamide?
The canonical SMILES for N-[3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]benzamide is Cn1nc(CC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c2ccccc2c1=O.
What is the InChIKey of N-[3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]benzamide?
The InChIKey is SXLMANYTYSVACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-28-24(31)20-13-6-5-12-19(20)21(27-28)15-22(29)25-17-10-7-11-18(14-17)26-23(30)16-8-3-2-4-9-16/h2-14H,15H2,1H3,(H,25,29)(H,26,30).
What are the key properties of N-[3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]benzamide?
N-[3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]benzamide has a molecular weight of 412.45 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 55796721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).