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

C20H17N3O3 — CID 71552340

IUPACN-(2-methyl-1-benzofuran-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCc1cc2cc(NC(=O)Cc3nn(C)c(=O)c4ccccc34)ccc2o1
InChIInChI=1S/C20H17N3O3/c1-12-9-13-10-14(7-8-18(13)26-12)21-19(24)11-17-15-5-3-4-6-16(15)20(25)23(2)22-17/h3-10H,11H2,1-2H3,(H,21,24)
InChIKeyNKRLAJDUGUSQAW-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.17
Rot. Bonds3

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

N-(2-methyl-1-benzofuran-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 71552340) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-(2-methyl-1-benzofuran-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-1-benzofuran-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID71552340
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC NameN-(2-methyl-1-benzofuran-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCc1cc2cc(NC(=O)Cc3nn(C)c(=O)c4ccccc34)ccc2o1
InChIInChI=1S/C20H17N3O3/c1-12-9-13-10-14(7-8-18(13)26-12)21-19(24)11-17-15-5-3-4-6-16(15)20(25)23(2)22-17/h3-10H,11H2,1-2H3,(H,21,24)
InChIKeyNKRLAJDUGUSQAW-UHFFFAOYSA-N
XLogP3.17
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-benzofuran-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-(2-methyl-1-benzofuran-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 71552340) is N-(2-methyl-1-benzofuran-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-(2-methyl-1-benzofuran-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-(2-methyl-1-benzofuran-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is Cc1cc2cc(NC(=O)Cc3nn(C)c(=O)c4ccccc34)ccc2o1.
What is the InChIKey of N-(2-methyl-1-benzofuran-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is NKRLAJDUGUSQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-12-9-13-10-14(7-8-18(13)26-12)21-19(24)11-17-15-5-3-4-6-16(15)20(25)23(2)22-17/h3-10H,11H2,1-2H3,(H,21,24).
What are the key properties of N-(2-methyl-1-benzofuran-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-(2-methyl-1-benzofuran-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 347.37 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-benzofuran-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 71552340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).