2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(2-fluorophenyl)acetamide

C14H16FN3O3 — CID 7190160

IUPAC2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(2-fluorophenyl)acetamide
SMILESCCN1CCN(CC(=O)Nc2ccccc2F)C(=O)C1=O
InChIInChI=1S/C14H16FN3O3/c1-2-17-7-8-18(14(21)13(17)20)9-12(19)16-11-6-4-3-5-10(11)15/h3-6H,2,7-9H2,1H3,(H,16,19)
InChIKeyPRKPWSZJJFAFCC-UHFFFAOYSA-N
MW293.30 g/mol
LogP0.45
Rot. Bonds4

About 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(2-fluorophenyl)acetamide

2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(2-fluorophenyl)acetamide (PubChem CID 7190160) has the molecular formula C14H16FN3O3 and a molecular weight of 293.30 g/mol. Its IUPAC name is 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(2-fluorophenyl)acetamide
PubChem CID7190160
Molecular FormulaC14H16FN3O3
Molecular Weight293.30 g/mol
Exact Mass293.12
IUPAC Name2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(2-fluorophenyl)acetamide
SMILESCCN1CCN(CC(=O)Nc2ccccc2F)C(=O)C1=O
InChIInChI=1S/C14H16FN3O3/c1-2-17-7-8-18(14(21)13(17)20)9-12(19)16-11-6-4-3-5-10(11)15/h3-6H,2,7-9H2,1H3,(H,16,19)
InChIKeyPRKPWSZJJFAFCC-UHFFFAOYSA-N
XLogP0.45
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluorophenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
CID 53063782
N-[2-(ethylaminomethyl)phenyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 119440254
N-(2-fluorophenyl)-2-[4-(2-methoxy-5-methylphenyl)-2,3-dioxopiperazin-1-yl]acetamide
CID 167997554
N-(2-fluorophenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9074397
1-ethyl-4-[3-(2-fluorophenyl)-2-oxopropyl]piperazine-2,3-dione
CID 62016943
N-(4-chlorophenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 7190167
N-(2-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)acetamide
CID 20905924
N-[5-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]-2-fluorophenyl]prop-2-enamide
CID 166404909
2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 53063709
N-(2-fluorophenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide
CID 54923773
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 55978389
N-(2-fluorophenyl)butanamide
CID 849021

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(2-fluorophenyl)acetamide (CID 7190160) is 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(2-fluorophenyl)acetamide is CCN1CCN(CC(=O)Nc2ccccc2F)C(=O)C1=O.
What is the InChIKey of 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(2-fluorophenyl)acetamide?
The InChIKey is PRKPWSZJJFAFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O3/c1-2-17-7-8-18(14(21)13(17)20)9-12(19)16-11-6-4-3-5-10(11)15/h3-6H,2,7-9H2,1H3,(H,16,19).
What are the key properties of 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(2-fluorophenyl)acetamide?
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(2-fluorophenyl)acetamide has a molecular weight of 293.30 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 7190160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).