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

C23H17N3O3 — CID 71552342

IUPACN-dibenzofuran-2-yl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCn1nc(CC(=O)Nc2ccc3oc4ccccc4c3c2)c2ccccc2c1=O
InChIInChI=1S/C23H17N3O3/c1-26-23(28)17-8-3-2-6-15(17)19(25-26)13-22(27)24-14-10-11-21-18(12-14)16-7-4-5-9-20(16)29-21/h2-12H,13H2,1H3,(H,24,27)
InChIKeyUTNLLWWRCUCXIN-UHFFFAOYSA-N
MW383.41 g/mol
LogP4.01
Rot. Bonds3

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

N-dibenzofuran-2-yl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 71552342) has the molecular formula C23H17N3O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID71552342
Molecular FormulaC23H17N3O3
Molecular Weight383.41 g/mol
Exact Mass383.13
IUPAC NameN-dibenzofuran-2-yl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCn1nc(CC(=O)Nc2ccc3oc4ccccc4c3c2)c2ccccc2c1=O
InChIInChI=1S/C23H17N3O3/c1-26-23(28)17-8-3-2-6-15(17)19(25-26)13-22(27)24-14-10-11-21-18(12-14)16-7-4-5-9-20(16)29-21/h2-12H,13H2,1H3,(H,24,27)
InChIKeyUTNLLWWRCUCXIN-UHFFFAOYSA-N
XLogP4.01
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzoxazol-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 71552259
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 17321943
2-methyl-N-[4-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide
CID 30754178
N-(3-benzoylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 17122264
N-[3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]benzamide
CID 55796721
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
4-(3-dibenzofuran-3-yl-2-oxopropyl)-2-methylphthalazin-1-one
CID 160938429
N-(4-ethoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 7578327
N-(3,5-difluoro-4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 71890002
N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55457066
N-(2-hydroxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 17400514

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-dibenzofuran-2-yl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 71552342) is N-dibenzofuran-2-yl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-dibenzofuran-2-yl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-dibenzofuran-2-yl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is Cn1nc(CC(=O)Nc2ccc3oc4ccccc4c3c2)c2ccccc2c1=O.
What is the InChIKey of N-dibenzofuran-2-yl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is UTNLLWWRCUCXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3/c1-26-23(28)17-8-3-2-6-15(17)19(25-26)13-22(27)24-14-10-11-21-18(12-14)16-7-4-5-9-20(16)29-21/h2-12H,13H2,1H3,(H,24,27).
What are the key properties of N-dibenzofuran-2-yl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-dibenzofuran-2-yl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 383.41 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 71552342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).