4-(2-azidoethyl)benzamide

C9H10N4O — CID 22390689

IUPAC4-(2-azidoethyl)benzamide
SMILES[N-]=[N+]=NCCc1ccc(C(N)=O)cc1
InChIInChI=1S/C9H10N4O/c10-9(14)8-3-1-7(2-4-8)5-6-12-13-11/h1-4H,5-6H2,(H2,10,14)
InChIKeyYTRQIUQNJDTSEJ-UHFFFAOYSA-N
MW190.21 g/mol
LogP1.64
Rot. Bonds4

About 4-(2-azidoethyl)benzamide

4-(2-azidoethyl)benzamide (PubChem CID 22390689) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 4-(2-azidoethyl)benzamide.

Molecular Properties

Compound Name4-(2-azidoethyl)benzamide
PubChem CID22390689
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name4-(2-azidoethyl)benzamide
SMILES[N-]=[N+]=NCCc1ccc(C(N)=O)cc1
InChIInChI=1S/C9H10N4O/c10-9(14)8-3-1-7(2-4-8)5-6-12-13-11/h1-4H,5-6H2,(H2,10,14)
InChIKeyYTRQIUQNJDTSEJ-UHFFFAOYSA-N
XLogP1.64
TPSA91.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 51.64
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

4-[2-(4-carbamoylphenyl)ethyl]benzamide
CID 14507735
benzyl 4-(2-azidoethyl)benzoate
CID 19926180
4-(2-aminoethyl)benzamide;hydrochloride
CID 23071598
3-(azidomethyl)benzamide
CID 61374948
4-(2-phenylethyl)benzamide
CID 23130460
1-(2-azidoethyl)-4-fluorobenzene
CID 59667428
[4-(aminomethyl)phenyl]methanamine;benzene-1,4-dicarboxamide
CID 68644964
[4-(2-azidoethyl)phenyl]-trifluoroboranuide
CID 167727955
1-(2-azidoethyl)-4-hexylbenzene
CID 142738236
4-octylbenzamide;hydrochloride
CID 131740255
4-(azidomethyl)-3-(4-fluorophenyl)benzamide
CID 122623216
potassium;benzene-1,4-dicarboxamide;hydride
CID 174539787

Frequently Asked Questions

What is the IUPAC name of 4-(2-azidoethyl)benzamide?
The IUPAC name of 4-(2-azidoethyl)benzamide (CID 22390689) is 4-(2-azidoethyl)benzamide.
What is the SMILES notation for 4-(2-azidoethyl)benzamide?
The canonical SMILES for 4-(2-azidoethyl)benzamide is [N-]=[N+]=NCCc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-(2-azidoethyl)benzamide?
The InChIKey is YTRQIUQNJDTSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c10-9(14)8-3-1-7(2-4-8)5-6-12-13-11/h1-4H,5-6H2,(H2,10,14).
What are the key properties of 4-(2-azidoethyl)benzamide?
4-(2-azidoethyl)benzamide has a molecular weight of 190.21 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azidoethyl)benzamide is sourced from PubChem (CID 22390689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).