N-(2-acetylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide

C18H15N3O3 — CID 7948525

IUPACN-(2-acetylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)c1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C18H15N3O3/c1-11(22)12-7-5-6-10-15(12)19-17(23)16-13-8-3-4-9-14(13)18(24)21(2)20-16/h3-10H,1-2H3,(H,19,23)
InChIKeyWLLHJTUXVXJNBK-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.39
Rot. Bonds3

About N-(2-acetylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide

N-(2-acetylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide (PubChem CID 7948525) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-(2-acetylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
PubChem CID7948525
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC NameN-(2-acetylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)c1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C18H15N3O3/c1-11(22)12-7-5-6-10-15(12)19-17(23)16-13-8-3-4-9-14(13)18(24)21(2)20-16/h3-10H,1-2H3,(H,19,23)
InChIKeyWLLHJTUXVXJNBK-UHFFFAOYSA-N
XLogP2.39
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]benzoate
CID 4812601
3-methyl-4-oxo-N-(2-propan-2-ylphenyl)phthalazine-1-carboxamide
CID 2678485
N-(2-acetylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 51148476
3-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]phthalazine-1-carboxamide
CID 18075195
N-(3-acetamidophenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2666384
N-(2-ethoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2591019
N-(3,5-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2710143
N-(2,4-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2704863
N-[2-[(2R)-butan-2-yl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 2670711
N-(3-bromophenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 3525242
N-(2-chloro-4-fluorophenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 4810793
N-(4-acetyl-1,3-thiazol-2-yl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 17428702

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-(2-acetylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide (CID 7948525) is N-(2-acetylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-(2-acetylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-(2-acetylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide is CC(=O)c1ccccc1NC(=O)c1nn(C)c(=O)c2ccccc12.
What is the InChIKey of N-(2-acetylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide?
The InChIKey is WLLHJTUXVXJNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-11(22)12-7-5-6-10-15(12)19-17(23)16-13-8-3-4-9-14(13)18(24)21(2)20-16/h3-10H,1-2H3,(H,19,23).
What are the key properties of N-(2-acetylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide?
N-(2-acetylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 7948525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).