2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-fluoro-2-nitrophenyl)acetamide

C15H15FN4O6 — CID 3594113

IUPAC2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-fluoro-2-nitrophenyl)acetamide
SMILESCCCCN1C(=O)C(=O)N(CC(=O)Nc2ccc(F)cc2[N+](=O)[O-])C1=O
InChIInChI=1S/C15H15FN4O6/c1-2-3-6-18-13(22)14(23)19(15(18)24)8-12(21)17-10-5-4-9(16)7-11(10)20(25)26/h4-5,7H,2-3,6,8H2,1H3,(H,17,21)
InChIKeyRCGWZFZCVTXQAD-UHFFFAOYSA-N
MW366.31 g/mol
LogP1.26
Rot. Bonds7

About 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-fluoro-2-nitrophenyl)acetamide

2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-fluoro-2-nitrophenyl)acetamide (PubChem CID 3594113) has the molecular formula C15H15FN4O6 and a molecular weight of 366.31 g/mol. Its IUPAC name is 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-fluoro-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-fluoro-2-nitrophenyl)acetamide
PubChem CID3594113
Molecular FormulaC15H15FN4O6
Molecular Weight366.31 g/mol
Exact Mass366.10
IUPAC Name2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-fluoro-2-nitrophenyl)acetamide
SMILESCCCCN1C(=O)C(=O)N(CC(=O)Nc2ccc(F)cc2[N+](=O)[O-])C1=O
InChIInChI=1S/C15H15FN4O6/c1-2-3-6-18-13(22)14(23)19(15(18)24)8-12(21)17-10-5-4-9(16)7-11(10)20(25)26/h4-5,7H,2-3,6,8H2,1H3,(H,17,21)
InChIKeyRCGWZFZCVTXQAD-UHFFFAOYSA-N
XLogP1.26
TPSA129.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-fluoro-5-nitrophenyl)acetamide
CID 2489578
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,3-dimethyl-6-nitrophenyl)acetamide
CID 7738270
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 4666685
(2S)-2-amino-N-(4-fluoro-2-nitrophenyl)hexanamide
CID 107143998
3-(4-fluoro-2-nitrophenyl)-1-heptyl-1-methylurea
CID 23370111
N-(2,4-difluorophenyl)-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 2634629
3-chloro-N-(4-fluoro-2-nitrophenyl)-2,2-dimethylpropanamide
CID 63679959
4-amino-N-(4-fluoro-2-nitrophenyl)-3-methylbutanamide
CID 81075417
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-methylphenyl)acetamide
CID 2489541
2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide
CID 7898424
[2-(4-fluoro-2-nitroanilino)-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
CID 4026704
(4-fluoro-2-nitrophenyl)urea
CID 69476086

Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-fluoro-2-nitrophenyl)acetamide?
The IUPAC name of 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-fluoro-2-nitrophenyl)acetamide (CID 3594113) is 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-fluoro-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-fluoro-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-fluoro-2-nitrophenyl)acetamide is CCCCN1C(=O)C(=O)N(CC(=O)Nc2ccc(F)cc2[N+](=O)[O-])C1=O.
What is the InChIKey of 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-fluoro-2-nitrophenyl)acetamide?
The InChIKey is RCGWZFZCVTXQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O6/c1-2-3-6-18-13(22)14(23)19(15(18)24)8-12(21)17-10-5-4-9(16)7-11(10)20(25)26/h4-5,7H,2-3,6,8H2,1H3,(H,17,21).
What are the key properties of 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-fluoro-2-nitrophenyl)acetamide?
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-fluoro-2-nitrophenyl)acetamide has a molecular weight of 366.31 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-fluoro-2-nitrophenyl)acetamide is sourced from PubChem (CID 3594113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).