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

C19H17N3O3 — CID 36526843

IUPACN-(2-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCC(=O)c1ccccc1NC(=O)Cn1nc(C)c2ccccc2c1=O
InChIInChI=1S/C19H17N3O3/c1-12-14-7-3-4-9-16(14)19(25)22(21-12)11-18(24)20-17-10-6-5-8-15(17)13(2)23/h3-10H,11H2,1-2H3,(H,20,24)
InChIKeyWKYCKNJIJLEOCK-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.55
Rot. Bonds4

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

N-(2-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (PubChem CID 36526843) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
PubChem CID36526843
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-(2-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCC(=O)c1ccccc1NC(=O)Cn1nc(C)c2ccccc2c1=O
InChIInChI=1S/C19H17N3O3/c1-12-14-7-3-4-9-16(14)19(25)22(21-12)11-18(24)20-17-10-6-5-8-15(17)13(2)23/h3-10H,11H2,1-2H3,(H,20,24)
InChIKeyWKYCKNJIJLEOCK-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-(2-methylphenyl)acetamide
CID 745849
2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide
CID 46518026
N-(2-chlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51208434
N-(4-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 857342
N-(2-benzylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51208461
N-[2-(difluoromethylsulfanyl)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 134038906
N-(2-acetylphenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
CID 60546437
N-[2-(azepan-1-yl)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 38283424
4-methyl-2-(2-oxopropyl)phthalazin-1-one
CID 58973560
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 51208445
3-[2-(2-carbamoylanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 9399186
2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylphenyl)acetamide
CID 17129197

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-(2-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (CID 36526843) is N-(2-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-(2-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-(2-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is CC(=O)c1ccccc1NC(=O)Cn1nc(C)c2ccccc2c1=O.
What is the InChIKey of N-(2-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The InChIKey is WKYCKNJIJLEOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-12-14-7-3-4-9-16(14)19(25)22(21-12)11-18(24)20-17-10-6-5-8-15(17)13(2)23/h3-10H,11H2,1-2H3,(H,20,24).
What are the key properties of N-(2-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
N-(2-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-(2-acetylphenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 36526843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).