N-(2-azidoethyl)-4-iodobenzamide

C9H9IN4O — CID 61342879

IUPACN-(2-azidoethyl)-4-iodobenzamide
SMILES[N-]=[N+]=NCCNC(=O)c1ccc(I)cc1
InChIInChI=1S/C9H9IN4O/c10-8-3-1-7(2-4-8)9(15)12-5-6-13-14-11/h1-4H,5-6H2,(H,12,15)
InChIKeyFJYHRUIFMZIDSH-UHFFFAOYSA-N
MW316.10 g/mol
LogP2.33
Rot. Bonds4

About N-(2-azidoethyl)-4-iodobenzamide

N-(2-azidoethyl)-4-iodobenzamide (PubChem CID 61342879) has the molecular formula C9H9IN4O and a molecular weight of 316.10 g/mol. Its IUPAC name is N-(2-azidoethyl)-4-iodobenzamide.

Molecular Properties

Compound NameN-(2-azidoethyl)-4-iodobenzamide
PubChem CID61342879
Molecular FormulaC9H9IN4O
Molecular Weight316.10 g/mol
Exact Mass315.98
IUPAC NameN-(2-azidoethyl)-4-iodobenzamide
SMILES[N-]=[N+]=NCCNC(=O)c1ccc(I)cc1
InChIInChI=1S/C9H9IN4O/c10-8-3-1-7(2-4-8)9(15)12-5-6-13-14-11/h1-4H,5-6H2,(H,12,15)
InChIKeyFJYHRUIFMZIDSH-UHFFFAOYSA-N
XLogP2.33
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.10
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-azidoethyl)-4-ethylbenzamide
CID 55136940
4-iodo-N-(3-iodopropyl)benzamide
CID 114504016
N-(4-azidobutyl)-4-(trifluoromethyl)benzamide
CID 106386467
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-methylbenzamide
CID 161343746
4-iodo-N-(6-iodohexyl)benzamide
CID 107848472
4-iodo-N-(3-methylbutyl)benzamide
CID 2232834
N-(4-azidobutyl)-4-nitrobenzamide
CID 114182192
N-(2-azidoethyl)-3-cyanobenzamide
CID 61343052
N-(2-azidoethyl)-2,6-dimethylbenzamide
CID 103845737
4-[(4-iodophenyl)diazenyl]-N-(2-sulfanylethyl)benzamide
CID 102165856
N-[2-(2-azidoethoxy)ethyl]benzamide
CID 156666189
4-iodo-N-(2-phenylethyl)benzamide
CID 1348743

Frequently Asked Questions

What is the IUPAC name of N-(2-azidoethyl)-4-iodobenzamide?
The IUPAC name of N-(2-azidoethyl)-4-iodobenzamide (CID 61342879) is N-(2-azidoethyl)-4-iodobenzamide.
What is the SMILES notation for N-(2-azidoethyl)-4-iodobenzamide?
The canonical SMILES for N-(2-azidoethyl)-4-iodobenzamide is [N-]=[N+]=NCCNC(=O)c1ccc(I)cc1.
What is the InChIKey of N-(2-azidoethyl)-4-iodobenzamide?
The InChIKey is FJYHRUIFMZIDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IN4O/c10-8-3-1-7(2-4-8)9(15)12-5-6-13-14-11/h1-4H,5-6H2,(H,12,15).
What are the key properties of N-(2-azidoethyl)-4-iodobenzamide?
N-(2-azidoethyl)-4-iodobenzamide has a molecular weight of 316.10 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azidoethyl)-4-iodobenzamide is sourced from PubChem (CID 61342879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).