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

C19H17N3O3 — CID 6484781

IUPACN-(3-acetylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)c1
InChIInChI=1S/C19H17N3O3/c1-12(23)13-6-5-7-14(10-13)20-18(24)11-17-15-8-3-4-9-16(15)19(25)22(2)21-17/h3-10H,11H2,1-2H3,(H,20,24)
InChIKeyBXZGOGCNYDUCNH-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.32
Rot. Bonds4

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

N-(3-acetylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 6484781) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID6484781
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-(3-acetylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)c1
InChIInChI=1S/C19H17N3O3/c1-12(23)13-6-5-7-14(10-13)20-18(24)11-17-15-8-3-4-9-16(15)19(25)22(2)21-17/h3-10H,11H2,1-2H3,(H,20,24)
InChIKeyBXZGOGCNYDUCNH-UHFFFAOYSA-N
XLogP2.32
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 6484781) is N-(3-acetylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is CC(=O)c1cccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is BXZGOGCNYDUCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-12(23)13-6-5-7-14(10-13)20-18(24)11-17-15-8-3-4-9-16(15)19(25)22(2)21-17/h3-10H,11H2,1-2H3,(H,20,24).
What are the key properties of N-(3-acetylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-(3-acetylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 335.36 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 6484781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).