N-(2-azidophenyl)-2-bromoacetamide

C8H7BrN4O — CID 91902656

IUPACN-(2-azidophenyl)-2-bromoacetamide
SMILES[N-]=[N+]=Nc1ccccc1NC(=O)CBr
InChIInChI=1S/C8H7BrN4O/c9-5-8(14)11-6-3-1-2-4-7(6)12-13-10/h1-4H,5H2,(H,11,14)
InChIKeyJOJUKJBTUOYOLJ-UHFFFAOYSA-N
MW255.07 g/mol
LogP2.96
Rot. Bonds3

About N-(2-azidophenyl)-2-bromoacetamide

N-(2-azidophenyl)-2-bromoacetamide (PubChem CID 91902656) has the molecular formula C8H7BrN4O and a molecular weight of 255.07 g/mol. Its IUPAC name is N-(2-azidophenyl)-2-bromoacetamide.

Molecular Properties

Compound NameN-(2-azidophenyl)-2-bromoacetamide
PubChem CID91902656
Molecular FormulaC8H7BrN4O
Molecular Weight255.07 g/mol
Exact Mass253.98
IUPAC NameN-(2-azidophenyl)-2-bromoacetamide
SMILES[N-]=[N+]=Nc1ccccc1NC(=O)CBr
InChIInChI=1S/C8H7BrN4O/c9-5-8(14)11-6-3-1-2-4-7(6)12-13-10/h1-4H,5H2,(H,11,14)
InChIKeyJOJUKJBTUOYOLJ-UHFFFAOYSA-N
XLogP2.96
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-azidophenyl)-2-bromoacetamide?
The IUPAC name of N-(2-azidophenyl)-2-bromoacetamide (CID 91902656) is N-(2-azidophenyl)-2-bromoacetamide.
What is the SMILES notation for N-(2-azidophenyl)-2-bromoacetamide?
The canonical SMILES for N-(2-azidophenyl)-2-bromoacetamide is [N-]=[N+]=Nc1ccccc1NC(=O)CBr.
What is the InChIKey of N-(2-azidophenyl)-2-bromoacetamide?
The InChIKey is JOJUKJBTUOYOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4O/c9-5-8(14)11-6-3-1-2-4-7(6)12-13-10/h1-4H,5H2,(H,11,14).
What are the key properties of N-(2-azidophenyl)-2-bromoacetamide?
N-(2-azidophenyl)-2-bromoacetamide has a molecular weight of 255.07 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azidophenyl)-2-bromoacetamide is sourced from PubChem (CID 91902656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).