N-(2-azidophenyl)acetamide

C8H8N4O — CID 91902655

IUPACN-(2-azidophenyl)acetamide
SMILESCC(=O)Nc1ccccc1N=[N+]=[N-]
InChIInChI=1S/C8H8N4O/c1-6(13)10-7-4-2-3-5-8(7)11-12-9/h2-5H,1H3,(H,10,13)
InChIKeyXZPDXXONIUUWHI-UHFFFAOYSA-N
MW176.18 g/mol
LogP2.59
Rot. Bonds2

About N-(2-azidophenyl)acetamide

N-(2-azidophenyl)acetamide (PubChem CID 91902655) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is N-(2-azidophenyl)acetamide.

Molecular Properties

Compound NameN-(2-azidophenyl)acetamide
PubChem CID91902655
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC NameN-(2-azidophenyl)acetamide
SMILESCC(=O)Nc1ccccc1N=[N+]=[N-]
InChIInChI=1S/C8H8N4O/c1-6(13)10-7-4-2-3-5-8(7)11-12-9/h2-5H,1H3,(H,10,13)
InChIKeyXZPDXXONIUUWHI-UHFFFAOYSA-N
XLogP2.59
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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'}

Analyze N-(2-azidophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-azidophenyl)acetamide?
The IUPAC name of N-(2-azidophenyl)acetamide (CID 91902655) is N-(2-azidophenyl)acetamide.
What is the SMILES notation for N-(2-azidophenyl)acetamide?
The canonical SMILES for N-(2-azidophenyl)acetamide is CC(=O)Nc1ccccc1N=[N+]=[N-].
What is the InChIKey of N-(2-azidophenyl)acetamide?
The InChIKey is XZPDXXONIUUWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c1-6(13)10-7-4-2-3-5-8(7)11-12-9/h2-5H,1H3,(H,10,13).
What are the key properties of N-(2-azidophenyl)acetamide?
N-(2-azidophenyl)acetamide has a molecular weight of 176.18 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azidophenyl)acetamide is sourced from PubChem (CID 91902655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).