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

C15H15FN4O6 — CID 2489578

IUPAC2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-fluoro-5-nitrophenyl)acetamide
SMILESCCCCN1C(=O)C(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1=O
InChIInChI=1S/C15H15FN4O6/c1-2-3-6-18-13(22)14(23)19(15(18)24)8-12(21)17-11-7-9(20(25)26)4-5-10(11)16/h4-5,7H,2-3,6,8H2,1H3,(H,17,21)
InChIKeyCSTYFZPHUQYOBO-UHFFFAOYSA-N
MW366.31 g/mol
LogP1.26
Rot. Bonds7

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

2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-fluoro-5-nitrophenyl)acetamide (PubChem CID 2489578) 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-(2-fluoro-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-fluoro-5-nitrophenyl)acetamide
PubChem CID2489578
Molecular FormulaC15H15FN4O6
Molecular Weight366.31 g/mol
Exact Mass366.10
IUPAC Name2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-fluoro-5-nitrophenyl)acetamide
SMILESCCCCN1C(=O)C(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1=O
InChIInChI=1S/C15H15FN4O6/c1-2-3-6-18-13(22)14(23)19(15(18)24)8-12(21)17-11-7-9(20(25)26)4-5-10(11)16/h4-5,7H,2-3,6,8H2,1H3,(H,17,21)
InChIKeyCSTYFZPHUQYOBO-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'}

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

2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-fluoro-2-nitrophenyl)acetamide
CID 3594113
2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide
CID 7898424
N-(2-fluoro-5-nitrophenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800674
N-(2-fluoro-5-nitrophenyl)butanamide
CID 909497
N-(5-chloro-2-fluorophenyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 8820768
N,N'-bis(2-fluoro-5-nitrophenyl)pentanediamide
CID 3363812
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
2-fluoro-5-nitro-N-pentylaniline
CID 43718990
N-(2-fluoro-5-nitrophenyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 55363324
2-(3-butyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-fluoro-5-nitrophenyl)acetamide
CID 40782023
5-nitro-2-nonylisoindole-1,3-dione
CID 3089282

Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-fluoro-5-nitrophenyl)acetamide?
The IUPAC name of 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-fluoro-5-nitrophenyl)acetamide (CID 2489578) is 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-fluoro-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-fluoro-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-fluoro-5-nitrophenyl)acetamide is CCCCN1C(=O)C(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1=O.
What is the InChIKey of 2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-fluoro-5-nitrophenyl)acetamide?
The InChIKey is CSTYFZPHUQYOBO-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)17-11-7-9(20(25)26)4-5-10(11)16/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-(2-fluoro-5-nitrophenyl)acetamide?
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-fluoro-5-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-(2-fluoro-5-nitrophenyl)acetamide is sourced from PubChem (CID 2489578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).