N-(1-benzofuran-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

C19H15N3O3 — CID 70850905

IUPACN-(1-benzofuran-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCn1nc(CC(=O)Nc2ccc3occc3c2)c2ccccc2c1=O
InChIInChI=1S/C19H15N3O3/c1-22-19(24)15-5-3-2-4-14(15)16(21-22)11-18(23)20-13-6-7-17-12(10-13)8-9-25-17/h2-10H,11H2,1H3,(H,20,23)
InChIKeyLYZMGGVCLGYJNI-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.86
Rot. Bonds3

About N-(1-benzofuran-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

N-(1-benzofuran-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 70850905) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-(1-benzofuran-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-benzofuran-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID70850905
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC NameN-(1-benzofuran-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCn1nc(CC(=O)Nc2ccc3occc3c2)c2ccccc2c1=O
InChIInChI=1S/C19H15N3O3/c1-22-19(24)15-5-3-2-4-14(15)16(21-22)11-18(23)20-13-6-7-17-12(10-13)8-9-25-17/h2-10H,11H2,1H3,(H,20,23)
InChIKeyLYZMGGVCLGYJNI-UHFFFAOYSA-N
XLogP2.86
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-(1-benzofuran-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 70850905) is N-(1-benzofuran-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-(1-benzofuran-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-(1-benzofuran-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is Cn1nc(CC(=O)Nc2ccc3occc3c2)c2ccccc2c1=O.
What is the InChIKey of N-(1-benzofuran-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is LYZMGGVCLGYJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-22-19(24)15-5-3-2-4-14(15)16(21-22)11-18(23)20-13-6-7-17-12(10-13)8-9-25-17/h2-10H,11H2,1H3,(H,20,23).
What are the key properties of N-(1-benzofuran-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-(1-benzofuran-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 333.35 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 70850905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).