2-(3-azidophenyl)acetamide

C8H8N4O — CID 12836490

IUPAC2-(3-azidophenyl)acetamide
SMILES[N-]=[N+]=Nc1cccc(CC(N)=O)c1
InChIInChI=1S/C8H8N4O/c9-8(13)5-6-2-1-3-7(4-6)11-12-10/h1-4H,5H2,(H2,9,13)
InChIKeyNMIYXIONVDYVQL-UHFFFAOYSA-N
MW176.18 g/mol
LogP1.66
Rot. Bonds3

About 2-(3-azidophenyl)acetamide

2-(3-azidophenyl)acetamide (PubChem CID 12836490) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 2-(3-azidophenyl)acetamide.

Molecular Properties

Compound Name2-(3-azidophenyl)acetamide
PubChem CID12836490
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name2-(3-azidophenyl)acetamide
SMILES[N-]=[N+]=Nc1cccc(CC(N)=O)c1
InChIInChI=1S/C8H8N4O/c9-8(13)5-6-2-1-3-7(4-6)11-12-10/h1-4H,5H2,(H2,9,13)
InChIKeyNMIYXIONVDYVQL-UHFFFAOYSA-N
XLogP1.66
TPSA91.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 51.66
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'}

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Related Compounds

2-(3-azidophenyl)-1-phenylethanone;methane
CID 167655289
(3-azidophenyl)methanamine
CID 21438660
2-[3-(bromomethyl)phenyl]acetamide
CID 151051771
2-(3-bromophenyl)acetamide
CID 11736027
2-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]acetic acid
CID 168601741
2-(3-aminophenyl)acetic acid;2-phenylacetamide
CID 157497347
ethyl 5-(3-azidophenyl)-2-phenylpentanoate
CID 53238119
1-azido-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 164883914
3-(azidomethyl)benzamide
CID 61374948
methyl N'-[3-(2-amino-2-oxoethyl)phenyl]-N-cyanocarbamimidothioate
CID 169361401
[3-(2-amino-2-oxoethyl)phenyl]methanesulfinic acid
CID 174767314
2-(3-methylsulfanylphenyl)acetamide
CID 55254407

Frequently Asked Questions

What is the IUPAC name of 2-(3-azidophenyl)acetamide?
The IUPAC name of 2-(3-azidophenyl)acetamide (CID 12836490) is 2-(3-azidophenyl)acetamide.
What is the SMILES notation for 2-(3-azidophenyl)acetamide?
The canonical SMILES for 2-(3-azidophenyl)acetamide is [N-]=[N+]=Nc1cccc(CC(N)=O)c1.
What is the InChIKey of 2-(3-azidophenyl)acetamide?
The InChIKey is NMIYXIONVDYVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c9-8(13)5-6-2-1-3-7(4-6)11-12-10/h1-4H,5H2,(H2,9,13).
What are the key properties of 2-(3-azidophenyl)acetamide?
2-(3-azidophenyl)acetamide has a molecular weight of 176.18 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidophenyl)acetamide is sourced from PubChem (CID 12836490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).