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

C23H17N3O3 — CID 649355

IUPACN-dibenzofuran-3-yl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc3c(c2)oc2ccccc23)c(=O)c2ccccc12
InChIInChI=1S/C23H17N3O3/c1-14-16-6-2-3-8-19(16)23(28)26(25-14)13-22(27)24-15-10-11-18-17-7-4-5-9-20(17)29-21(18)12-15/h2-12H,13H2,1H3,(H,24,27)
InChIKeyBVUCLYJSUPHRQL-UHFFFAOYSA-N
MW383.41 g/mol
LogP4.24
Rot. Bonds3

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

N-dibenzofuran-3-yl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (PubChem CID 649355) has the molecular formula C23H17N3O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
PubChem CID649355
Molecular FormulaC23H17N3O3
Molecular Weight383.41 g/mol
Exact Mass383.13
IUPAC NameN-dibenzofuran-3-yl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc3c(c2)oc2ccccc23)c(=O)c2ccccc12
InChIInChI=1S/C23H17N3O3/c1-14-16-6-2-3-8-19(16)23(28)26(25-14)13-22(27)24-15-10-11-18-17-7-4-5-9-20(17)29-21(18)12-15/h2-12H,13H2,1H3,(H,24,27)
InChIKeyBVUCLYJSUPHRQL-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-dibenzofuran-3-yl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (CID 649355) is N-dibenzofuran-3-yl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-dibenzofuran-3-yl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-dibenzofuran-3-yl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is Cc1nn(CC(=O)Nc2ccc3c(c2)oc2ccccc23)c(=O)c2ccccc12.
What is the InChIKey of N-dibenzofuran-3-yl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The InChIKey is BVUCLYJSUPHRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3/c1-14-16-6-2-3-8-19(16)23(28)26(25-14)13-22(27)24-15-10-11-18-17-7-4-5-9-20(17)29-21(18)12-15/h2-12H,13H2,1H3,(H,24,27).
What are the key properties of N-dibenzofuran-3-yl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
N-dibenzofuran-3-yl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide has a molecular weight of 383.41 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 649355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).