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

C18H17N3O3 — CID 40711272

IUPAC2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)cc1
InChIInChI=1S/C18H17N3O3/c1-2-12-7-9-13(10-8-12)19-16(22)11-21-18(24)15-6-4-3-5-14(15)17(23)20-21/h3-10H,2,11H2,1H3,(H,19,22)(H,20,23)
InChIKeyBSVWSLJYSZSCOK-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.89
Rot. Bonds4

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

2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-ethylphenyl)acetamide (PubChem CID 40711272) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-ethylphenyl)acetamide
PubChem CID40711272
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)cc1
InChIInChI=1S/C18H17N3O3/c1-2-12-7-9-13(10-8-12)19-16(22)11-21-18(24)15-6-4-3-5-14(15)17(23)20-21/h3-10H,2,11H2,1H3,(H,19,22)(H,20,23)
InChIKeyBSVWSLJYSZSCOK-UHFFFAOYSA-N
XLogP1.89
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-ethylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]benzamide
CID 18162052
N-(3,5-dimethylphenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 2083338
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-(4-methoxyanilino)phenyl]acetamide
CID 17477729
N-[4-[[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]methyl]phenyl]-2-methylpropanamide
CID 37273272
N-[3-(diethylaminomethyl)phenyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 38809412
ethyl 3-[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]benzoate
CID 9228145
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3-iodophenyl)acetamide
CID 26757705
N-(3-chlorophenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 9412227
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 36544756
N-[4-[3-(1,4-dioxo-3H-phthalazin-2-yl)propanoylamino]phenyl]-2-methylpropanamide
CID 78804551
(2-anilino-2-oxoethyl) 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 2619355
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-methoxy-3-sulfamoylphenyl)acetamide
CID 4845929

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-ethylphenyl)acetamide (CID 40711272) is 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)cc1.
What is the InChIKey of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-ethylphenyl)acetamide?
The InChIKey is BSVWSLJYSZSCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-2-12-7-9-13(10-8-12)19-16(22)11-21-18(24)15-6-4-3-5-14(15)17(23)20-21/h3-10H,2,11H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-ethylphenyl)acetamide?
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-ethylphenyl)acetamide has a molecular weight of 323.35 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 40711272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).