N-(2,4-difluorophenyl)-2-ethyl-3,5-dioxopiperazine-1-carboxamide

C13H13F2N3O3 — CID 66067197

IUPACN-(2,4-difluorophenyl)-2-ethyl-3,5-dioxopiperazine-1-carboxamide
SMILESCCC1C(=O)NC(=O)CN1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C13H13F2N3O3/c1-2-10-12(20)17-11(19)6-18(10)13(21)16-9-4-3-7(14)5-8(9)15/h3-5,10H,2,6H2,1H3,(H,16,21)(H,17,19,20)
InChIKeyVJJSAWGGKJFLKB-UHFFFAOYSA-N
MW297.26 g/mol
LogP1.23
Rot. Bonds2

About N-(2,4-difluorophenyl)-2-ethyl-3,5-dioxopiperazine-1-carboxamide

N-(2,4-difluorophenyl)-2-ethyl-3,5-dioxopiperazine-1-carboxamide (PubChem CID 66067197) has the molecular formula C13H13F2N3O3 and a molecular weight of 297.26 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-ethyl-3,5-dioxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-ethyl-3,5-dioxopiperazine-1-carboxamide
PubChem CID66067197
Molecular FormulaC13H13F2N3O3
Molecular Weight297.26 g/mol
Exact Mass297.09
IUPAC NameN-(2,4-difluorophenyl)-2-ethyl-3,5-dioxopiperazine-1-carboxamide
SMILESCCC1C(=O)NC(=O)CN1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C13H13F2N3O3/c1-2-10-12(20)17-11(19)6-18(10)13(21)16-9-4-3-7(14)5-8(9)15/h3-5,10H,2,6H2,1H3,(H,16,21)(H,17,19,20)
InChIKeyVJJSAWGGKJFLKB-UHFFFAOYSA-N
XLogP1.23
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.26
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-4-(5-fluoro-2-methylbenzoyl)piperazine-2,6-dione
CID 66068909
(2R)-N-(2,4-difluorophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 6975937
N-(2,4-difluorophenyl)-3-ethyl-4-oxopiperidine-1-carboxamide
CID 114508450
N-(4-fluorophenyl)-2-methyl-3,5-dioxopiperazine-1-carboxamide
CID 66061213
(2R)-N-(2,4-difluorophenyl)-2-methylpiperazine-1-carboxamide
CID 82755862
3-(2-ethyl-3,5-dioxopiperazin-1-yl)-3-oxopropanethioamide
CID 66069349
(7R)-N-(2,4-difluorophenyl)-7-ethyl-17-thia-2,8-diazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,11(16)-tetraene-8-carboxamide
CID 92873516
4-(1-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 63595164
(2S,3R)-2-[(2-ethyl-3,5-dioxopiperazine-1-carbonyl)amino]-3-hydroxybutanoic acid
CID 104966378
4-(2-aminoacetyl)-3-ethylpiperazine-2,6-dione
CID 66069530
3-ethyl-4-(1,2-oxazole-5-carbonyl)piperazine-2,6-dione
CID 66068922
4-(2,4-dimethylbenzoyl)-3-ethylpiperazine-2,6-dione
CID 66069864

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-ethyl-3,5-dioxopiperazine-1-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-ethyl-3,5-dioxopiperazine-1-carboxamide (CID 66067197) is N-(2,4-difluorophenyl)-2-ethyl-3,5-dioxopiperazine-1-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-ethyl-3,5-dioxopiperazine-1-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-ethyl-3,5-dioxopiperazine-1-carboxamide is CCC1C(=O)NC(=O)CN1C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-ethyl-3,5-dioxopiperazine-1-carboxamide?
The InChIKey is VJJSAWGGKJFLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O3/c1-2-10-12(20)17-11(19)6-18(10)13(21)16-9-4-3-7(14)5-8(9)15/h3-5,10H,2,6H2,1H3,(H,16,21)(H,17,19,20).
What are the key properties of N-(2,4-difluorophenyl)-2-ethyl-3,5-dioxopiperazine-1-carboxamide?
N-(2,4-difluorophenyl)-2-ethyl-3,5-dioxopiperazine-1-carboxamide has a molecular weight of 297.26 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-ethyl-3,5-dioxopiperazine-1-carboxamide is sourced from PubChem (CID 66067197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).