N-(2-ethylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide

C18H17N3O2 — CID 8839355

IUPACN-(2-ethylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCCc1ccccc1NC(=O)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C18H17N3O2/c1-2-12-7-3-6-10-15(12)19-17(22)11-16-13-8-4-5-9-14(13)18(23)21-20-16/h3-10H,2,11H2,1H3,(H,19,22)(H,21,23)
InChIKeyZTFKAFPDBZVLKL-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.67
Rot. Bonds4

About N-(2-ethylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide

N-(2-ethylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide (PubChem CID 8839355) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
PubChem CID8839355
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-(2-ethylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCCc1ccccc1NC(=O)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C18H17N3O2/c1-2-12-7-3-6-10-15(12)19-17(22)11-16-13-8-4-5-9-14(13)18(23)21-20-16/h3-10H,2,11H2,1H3,(H,19,22)(H,21,23)
InChIKeyZTFKAFPDBZVLKL-UHFFFAOYSA-N
XLogP2.67
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphthalen-1-yl-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17403437
N-[2-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]acetamide
CID 122191897
2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide
CID 17394362
N-(4-chloro-2-fluorophenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 7901318
N-(5-methyl-2-pyridinyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 18106765
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 9117000
N-(2-chloro-5-methylsulfonylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 8002235
[2-(2-methoxyanilino)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7251522
N-(2-ethylphenyl)-2-[4-(4-oxo-3H-phthalazine-1-carbonyl)piperazin-1-yl]acetamide
CID 27851779
ethyl 2-[[2-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]oxyacetyl]amino]benzoate
CID 7251533
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7251529
(2S)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoic acid
CID 51606533

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide (CID 8839355) is N-(2-ethylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide is CCc1ccccc1NC(=O)Cc1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-(2-ethylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The InChIKey is ZTFKAFPDBZVLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-2-12-7-3-6-10-15(12)19-17(22)11-16-13-8-4-5-9-14(13)18(23)21-20-16/h3-10H,2,11H2,1H3,(H,19,22)(H,21,23).
What are the key properties of N-(2-ethylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
N-(2-ethylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide has a molecular weight of 307.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 8839355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).