N-(5-chloro-2-nitrophenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide

C16H15ClN4O6 — CID 4838191

IUPACN-(5-chloro-2-nitrophenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)Nc1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H15ClN4O6/c17-9-5-6-12(21(26)27)11(7-9)18-13(22)8-19-14(23)15(24)20(16(19)25)10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,18,22)
InChIKeyLPAWIJZDSXVESZ-UHFFFAOYSA-N
MW394.77 g/mol
LogP1.92
Rot. Bonds5

About N-(5-chloro-2-nitrophenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide

N-(5-chloro-2-nitrophenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide (PubChem CID 4838191) has the molecular formula C16H15ClN4O6 and a molecular weight of 394.77 g/mol. Its IUPAC name is N-(5-chloro-2-nitrophenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-nitrophenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
PubChem CID4838191
Molecular FormulaC16H15ClN4O6
Molecular Weight394.77 g/mol
Exact Mass394.07
IUPAC NameN-(5-chloro-2-nitrophenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)Nc1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C16H15ClN4O6/c17-9-5-6-12(21(26)27)11(7-9)18-13(22)8-19-14(23)15(24)20(16(19)25)10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,18,22)
InChIKeyLPAWIJZDSXVESZ-UHFFFAOYSA-N
XLogP1.92
TPSA129.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.77
LogP ≤ 51.92
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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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-nitrophenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-(5-chloro-2-nitrophenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide (CID 4838191) is N-(5-chloro-2-nitrophenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-nitrophenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-nitrophenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide is O=C(CN1C(=O)C(=O)N(C2CCCC2)C1=O)Nc1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of N-(5-chloro-2-nitrophenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The InChIKey is LPAWIJZDSXVESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O6/c17-9-5-6-12(21(26)27)11(7-9)18-13(22)8-19-14(23)15(24)20(16(19)25)10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,18,22).
What are the key properties of N-(5-chloro-2-nitrophenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
N-(5-chloro-2-nitrophenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide has a molecular weight of 394.77 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-nitrophenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 4838191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).