N-(4-acetamidophenyl)-2-(4-nitroimidazol-1-yl)acetamide

C13H13N5O4 — CID 862879

IUPACN-(4-acetamidophenyl)-2-(4-nitroimidazol-1-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C13H13N5O4/c1-9(19)15-10-2-4-11(5-3-10)16-13(20)7-17-6-12(14-8-17)18(21)22/h2-6,8H,7H2,1H3,(H,15,19)(H,16,20)
InChIKeyXJHLAJQWLGEHPF-UHFFFAOYSA-N
MW303.28 g/mol
LogP1.39
Rot. Bonds5

About N-(4-acetamidophenyl)-2-(4-nitroimidazol-1-yl)acetamide

N-(4-acetamidophenyl)-2-(4-nitroimidazol-1-yl)acetamide (PubChem CID 862879) has the molecular formula C13H13N5O4 and a molecular weight of 303.28 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(4-nitroimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(4-nitroimidazol-1-yl)acetamide
PubChem CID862879
Molecular FormulaC13H13N5O4
Molecular Weight303.28 g/mol
Exact Mass303.10
IUPAC NameN-(4-acetamidophenyl)-2-(4-nitroimidazol-1-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C13H13N5O4/c1-9(19)15-10-2-4-11(5-3-10)16-13(20)7-17-6-12(14-8-17)18(21)22/h2-6,8H,7H2,1H3,(H,15,19)(H,16,20)
InChIKeyXJHLAJQWLGEHPF-UHFFFAOYSA-N
XLogP1.39
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-nitroimidazol-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 24669609
N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-(4-nitroimidazol-1-yl)acetamide
CID 51648542
2-(4-nitroimidazol-1-yl)-N-(phenylcarbamoyl)acetamide
CID 24650223
N-[(3,4-dimethylphenyl)carbamoyl]-2-(4-nitroimidazol-1-yl)acetamide
CID 24650226
N-(4-methyl-1,3-thiazol-2-yl)-2-(4-nitroimidazol-1-yl)acetamide
CID 33356859
N-butan-2-yl-2-(4-nitroimidazol-1-yl)acetamide
CID 3103705
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-(4-nitroimidazol-1-yl)acetamide
CID 24669589
N-(2-bromo-4-nitrophenyl)-2-(4-nitroimidazol-1-yl)acetamide
CID 33356171
N-(2,4-dimethoxyphenyl)-2-(4-nitroimidazol-1-yl)acetamide
CID 690914
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-nitroimidazol-1-yl)acetamide
CID 39030664
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-nitroimidazol-1-yl)acetamide
CID 34271913
N-[2-(4-methylphenoxy)phenyl]-2-(4-nitroimidazol-1-yl)acetamide
CID 24650230

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(4-nitroimidazol-1-yl)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(4-nitroimidazol-1-yl)acetamide (CID 862879) is N-(4-acetamidophenyl)-2-(4-nitroimidazol-1-yl)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(4-nitroimidazol-1-yl)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(4-nitroimidazol-1-yl)acetamide is CC(=O)Nc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(4-nitroimidazol-1-yl)acetamide?
The InChIKey is XJHLAJQWLGEHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O4/c1-9(19)15-10-2-4-11(5-3-10)16-13(20)7-17-6-12(14-8-17)18(21)22/h2-6,8H,7H2,1H3,(H,15,19)(H,16,20).
What are the key properties of N-(4-acetamidophenyl)-2-(4-nitroimidazol-1-yl)acetamide?
N-(4-acetamidophenyl)-2-(4-nitroimidazol-1-yl)acetamide has a molecular weight of 303.28 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(4-nitroimidazol-1-yl)acetamide is sourced from PubChem (CID 862879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).