N-(2-bromo-4-nitrophenyl)-2-(4-nitroimidazol-1-yl)acetamide

C11H8BrN5O5 — CID 33356171

IUPACN-(2-bromo-4-nitrophenyl)-2-(4-nitroimidazol-1-yl)acetamide
SMILESO=C(Cn1cnc([N+](=O)[O-])c1)Nc1ccc([N+](=O)[O-])cc1Br
InChIInChI=1S/C11H8BrN5O5/c12-8-3-7(16(19)20)1-2-9(8)14-11(18)5-15-4-10(13-6-15)17(21)22/h1-4,6H,5H2,(H,14,18)
InChIKeyZFZODXUKRFTFLZ-UHFFFAOYSA-N
MW370.12 g/mol
LogP2.10
Rot. Bonds5

About N-(2-bromo-4-nitrophenyl)-2-(4-nitroimidazol-1-yl)acetamide

N-(2-bromo-4-nitrophenyl)-2-(4-nitroimidazol-1-yl)acetamide (PubChem CID 33356171) has the molecular formula C11H8BrN5O5 and a molecular weight of 370.12 g/mol. Its IUPAC name is N-(2-bromo-4-nitrophenyl)-2-(4-nitroimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-nitrophenyl)-2-(4-nitroimidazol-1-yl)acetamide
PubChem CID33356171
Molecular FormulaC11H8BrN5O5
Molecular Weight370.12 g/mol
Exact Mass368.97
IUPAC NameN-(2-bromo-4-nitrophenyl)-2-(4-nitroimidazol-1-yl)acetamide
SMILESO=C(Cn1cnc([N+](=O)[O-])c1)Nc1ccc([N+](=O)[O-])cc1Br
InChIInChI=1S/C11H8BrN5O5/c12-8-3-7(16(19)20)1-2-9(8)14-11(18)5-15-4-10(13-6-15)17(21)22/h1-4,6H,5H2,(H,14,18)
InChIKeyZFZODXUKRFTFLZ-UHFFFAOYSA-N
XLogP2.10
TPSA133.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.12
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

N-(2,4-dimethoxyphenyl)-2-(4-nitroimidazol-1-yl)acetamide
CID 690914
N-(2-bromo-4-nitrophenyl)-2-piperidin-1-ylacetamide
CID 2946043
N-(4-acetamidophenyl)-2-(4-nitroimidazol-1-yl)acetamide
CID 862879
N-(2-bromo-4-nitrophenyl)-3-methylbutanamide
CID 4604816
N-methyl-4-nitro-2-[(4-nitroimidazol-1-yl)methyl]aniline
CID 62208516
N-(2-bromo-4-nitrophenyl)-2-phenylsulfanylacetamide
CID 4173915
N-(2-bromo-4-nitrophenyl)-2-(2-formyl-4-nitrophenoxy)acetamide
CID 34743716
2-(4-nitroimidazol-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 24669609
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-nitroimidazol-1-yl)acetamide
CID 34271913
3-amino-N-(2-bromo-4-nitrophenyl)butanamide
CID 60841229
N-(2-bromo-4-nitrophenyl)-2-(cyclopentylamino)acetamide
CID 60647189
2-(4-nitroimidazol-1-yl)-N-(phenylcarbamoyl)acetamide
CID 24650223

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-nitrophenyl)-2-(4-nitroimidazol-1-yl)acetamide?
The IUPAC name of N-(2-bromo-4-nitrophenyl)-2-(4-nitroimidazol-1-yl)acetamide (CID 33356171) is N-(2-bromo-4-nitrophenyl)-2-(4-nitroimidazol-1-yl)acetamide.
What is the SMILES notation for N-(2-bromo-4-nitrophenyl)-2-(4-nitroimidazol-1-yl)acetamide?
The canonical SMILES for N-(2-bromo-4-nitrophenyl)-2-(4-nitroimidazol-1-yl)acetamide is O=C(Cn1cnc([N+](=O)[O-])c1)Nc1ccc([N+](=O)[O-])cc1Br.
What is the InChIKey of N-(2-bromo-4-nitrophenyl)-2-(4-nitroimidazol-1-yl)acetamide?
The InChIKey is ZFZODXUKRFTFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN5O5/c12-8-3-7(16(19)20)1-2-9(8)14-11(18)5-15-4-10(13-6-15)17(21)22/h1-4,6H,5H2,(H,14,18).
What are the key properties of N-(2-bromo-4-nitrophenyl)-2-(4-nitroimidazol-1-yl)acetamide?
N-(2-bromo-4-nitrophenyl)-2-(4-nitroimidazol-1-yl)acetamide has a molecular weight of 370.12 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-nitrophenyl)-2-(4-nitroimidazol-1-yl)acetamide is sourced from PubChem (CID 33356171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).