N-(4-acetamidophenyl)-2-(3,5-dioxopyrazolidin-4-yl)acetamide

C13H14N4O4 — CID 110703357

IUPACN-(4-acetamidophenyl)-2-(3,5-dioxopyrazolidin-4-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CC2C(=O)NNC2=O)cc1
InChIInChI=1S/C13H14N4O4/c1-7(18)14-8-2-4-9(5-3-8)15-11(19)6-10-12(20)16-17-13(10)21/h2-5,10H,6H2,1H3,(H,14,18)(H,15,19)(H,16,20)(H,17,21)
InChIKeyQFKLFHNHTNRHLU-UHFFFAOYSA-N
MW290.28 g/mol
LogP-0.25
Rot. Bonds4

About N-(4-acetamidophenyl)-2-(3,5-dioxopyrazolidin-4-yl)acetamide

N-(4-acetamidophenyl)-2-(3,5-dioxopyrazolidin-4-yl)acetamide (PubChem CID 110703357) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(3,5-dioxopyrazolidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(3,5-dioxopyrazolidin-4-yl)acetamide
PubChem CID110703357
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC NameN-(4-acetamidophenyl)-2-(3,5-dioxopyrazolidin-4-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CC2C(=O)NNC2=O)cc1
InChIInChI=1S/C13H14N4O4/c1-7(18)14-8-2-4-9(5-3-8)15-11(19)6-10-12(20)16-17-13(10)21/h2-5,10H,6H2,1H3,(H,14,18)(H,15,19)(H,16,20)(H,17,21)
InChIKeyQFKLFHNHTNRHLU-UHFFFAOYSA-N
XLogP-0.25
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 5-0.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_B(12)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dioxopyrazolidin-4-yl)-N-(4-propan-2-yloxyphenyl)acetamide
CID 110703347
N-(3-bromo-4-methylphenyl)-2-(3,5-dioxopyrazolidin-4-yl)acetamide
CID 110703339
2-(3,5-dioxopyrazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 110703367
N-(4-acetamidophenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 7273614
N-(4-acetamidophenyl)-2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
CID 2946822
N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050
N-(4-bromophenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide
CID 110703549
N-(4-acetamidophenyl)-2-(1-methylpyrrolidin-3-yl)acetamide
CID 110861482
3-(4-acetamidoanilino)-3-oxopropanoic acid
CID 55049633
N-(4-acetamidophenyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 11914325
N-(4-acetamidophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
CID 135635979
ethyl (3R,6R)-6-[2-(4-acetamidoanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylate
CID 41475275

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(3,5-dioxopyrazolidin-4-yl)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(3,5-dioxopyrazolidin-4-yl)acetamide (CID 110703357) is N-(4-acetamidophenyl)-2-(3,5-dioxopyrazolidin-4-yl)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(3,5-dioxopyrazolidin-4-yl)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(3,5-dioxopyrazolidin-4-yl)acetamide is CC(=O)Nc1ccc(NC(=O)CC2C(=O)NNC2=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(3,5-dioxopyrazolidin-4-yl)acetamide?
The InChIKey is QFKLFHNHTNRHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-7(18)14-8-2-4-9(5-3-8)15-11(19)6-10-12(20)16-17-13(10)21/h2-5,10H,6H2,1H3,(H,14,18)(H,15,19)(H,16,20)(H,17,21).
What are the key properties of N-(4-acetamidophenyl)-2-(3,5-dioxopyrazolidin-4-yl)acetamide?
N-(4-acetamidophenyl)-2-(3,5-dioxopyrazolidin-4-yl)acetamide has a molecular weight of 290.28 g/mol, XLogP of -0.25, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(3,5-dioxopyrazolidin-4-yl)acetamide is sourced from PubChem (CID 110703357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).