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

C19H17N3O3 — CID 857342

IUPACN-(4-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)Cn2nc(C)c3ccccc3c2=O)cc1
InChIInChI=1S/C19H17N3O3/c1-12-16-5-3-4-6-17(16)19(25)22(21-12)11-18(24)20-15-9-7-14(8-10-15)13(2)23/h3-10H,11H2,1-2H3,(H,20,24)
InChIKeyICCHAYAPBBOBLD-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.55
Rot. Bonds4

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

N-(4-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (PubChem CID 857342) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
PubChem CID857342
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-(4-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)Cn2nc(C)c3ccccc3c2=O)cc1
InChIInChI=1S/C19H17N3O3/c1-12-16-5-3-4-6-17(16)19(25)22(21-12)11-18(24)20-15-9-7-14(8-10-15)13(2)23/h3-10H,11H2,1-2H3,(H,20,24)
InChIKeyICCHAYAPBBOBLD-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylphenyl)acetamide
CID 17129197
N-(2-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 36526843
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-methylphenyl)acetamide
CID 745849
2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide
CID 46518026
4-methyl-2-(2-oxopropyl)phthalazin-1-one
CID 58973560
2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 29445007
2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 51208453
N-(2-chlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51208434
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 51208445
2-chloro-N,N-dimethyl-5-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide
CID 55674390
3-[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 2388769
N-(4-bromophenyl)-2-[4-(dimethylamino)-1-oxophthalazin-2-yl]acetamide
CID 53136998

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (CID 857342) is N-(4-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is CC(=O)c1ccc(NC(=O)Cn2nc(C)c3ccccc3c2=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The InChIKey is ICCHAYAPBBOBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-12-16-5-3-4-6-17(16)19(25)22(21-12)11-18(24)20-15-9-7-14(8-10-15)13(2)23/h3-10H,11H2,1-2H3,(H,20,24).
What are the key properties of N-(4-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
N-(4-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide has a molecular weight of 335.36 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 857342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).