2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-nitrophenyl)acetamide

C17H14N4O5 — CID 84571824

IUPAC2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-nitrophenyl)acetamide
SMILESO=C(CN1C(=O)NC(c2ccccc2)C1=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H14N4O5/c22-14(18-12-6-8-13(9-7-12)21(25)26)10-20-16(23)15(19-17(20)24)11-4-2-1-3-5-11/h1-9,15H,10H2,(H,18,22)(H,19,24)
InChIKeyVTSFZWKYLHLYQQ-UHFFFAOYSA-N
MW354.32 g/mol
LogP1.83
Rot. Bonds5

About 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-nitrophenyl)acetamide

2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-nitrophenyl)acetamide (PubChem CID 84571824) has the molecular formula C17H14N4O5 and a molecular weight of 354.32 g/mol. Its IUPAC name is 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-nitrophenyl)acetamide
PubChem CID84571824
Molecular FormulaC17H14N4O5
Molecular Weight354.32 g/mol
Exact Mass354.10
IUPAC Name2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-nitrophenyl)acetamide
SMILESO=C(CN1C(=O)NC(c2ccccc2)C1=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H14N4O5/c22-14(18-12-6-8-13(9-7-12)21(25)26)10-20-16(23)15(19-17(20)24)11-4-2-1-3-5-11/h1-9,15H,10H2,(H,18,22)(H,19,24)
InChIKeyVTSFZWKYLHLYQQ-UHFFFAOYSA-N
XLogP1.83
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

N-(4-anilinophenyl)-2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 84571858
N-(4-chlorophenyl)-2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 84571668
2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetohydrazide
CID 84571871
N-(4-nitrophenyl)-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 19241390
2-[(4Z)-4-benzylidene-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide
CID 16632905
2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)-N-(4-nitrophenyl)acetamide
CID 90542479
2-(2,3-dioxoindol-1-yl)-N-(4-nitrophenyl)acetamide
CID 3704400
2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 84571944
N-(2,5-dichlorophenyl)-2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 84571692
N-(4-nitrophenyl)-2-phenylsulfanylacetamide
CID 3879245
N-(4-nitrophenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18886636
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(4-nitrophenyl)acetamide
CID 40841015

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-nitrophenyl)acetamide (CID 84571824) is 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-nitrophenyl)acetamide is O=C(CN1C(=O)NC(c2ccccc2)C1=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-nitrophenyl)acetamide?
The InChIKey is VTSFZWKYLHLYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O5/c22-14(18-12-6-8-13(9-7-12)21(25)26)10-20-16(23)15(19-17(20)24)11-4-2-1-3-5-11/h1-9,15H,10H2,(H,18,22)(H,19,24).
What are the key properties of 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-nitrophenyl)acetamide?
2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-nitrophenyl)acetamide has a molecular weight of 354.32 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 84571824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).