3-iodo-N-(2-methyltetrazol-5-yl)benzamide

C9H8IN5O — CID 824051

IUPAC3-iodo-N-(2-methyltetrazol-5-yl)benzamide
SMILESCn1nnc(NC(=O)c2cccc(I)c2)n1
InChIInChI=1S/C9H8IN5O/c1-15-13-9(12-14-15)11-8(16)6-3-2-4-7(10)5-6/h2-5H,1H3,(H,11,13,16)
InChIKeyDXRWHGLGPXBETL-UHFFFAOYSA-N
MW329.10 g/mol
LogP1.07
Rot. Bonds2

About 3-iodo-N-(2-methyltetrazol-5-yl)benzamide

3-iodo-N-(2-methyltetrazol-5-yl)benzamide (PubChem CID 824051) has the molecular formula C9H8IN5O and a molecular weight of 329.10 g/mol. Its IUPAC name is 3-iodo-N-(2-methyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-iodo-N-(2-methyltetrazol-5-yl)benzamide
PubChem CID824051
Molecular FormulaC9H8IN5O
Molecular Weight329.10 g/mol
Exact Mass328.98
IUPAC Name3-iodo-N-(2-methyltetrazol-5-yl)benzamide
SMILESCn1nnc(NC(=O)c2cccc(I)c2)n1
InChIInChI=1S/C9H8IN5O/c1-15-13-9(12-14-15)11-8(16)6-3-2-4-7(10)5-6/h2-5H,1H3,(H,11,13,16)
InChIKeyDXRWHGLGPXBETL-UHFFFAOYSA-N
XLogP1.07
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.10
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-hydroxy-N-(2-methyltetrazol-5-yl)benzamide
CID 137006878
4-tert-butyl-N-(2-methyltetrazol-5-yl)benzamide
CID 645076
N-(2-methyltetrazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 959481
3-chloro-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
CID 931371
3-bromo-5-methyl-N-(2-methyltetrazol-5-yl)benzamide
CID 104852902
2-bromo-N-(2-methyltetrazol-5-yl)benzamide
CID 953438
N-(2-methyltetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 75430284
3-iodo-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 61151450
3-iodo-N-pyrimidin-5-ylbenzamide
CID 104856856
2-chloro-N-(2-methyltetrazol-5-yl)pyridine-3-carboxamide
CID 938393
1-hydrazinyl-N-(2-methyltetrazol-5-yl)isoquinoline-4-carboxamide
CID 106774275
N-(5-ethyl-1H-pyrazol-3-yl)-3-iodobenzamide
CID 47423222

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-(2-methyltetrazol-5-yl)benzamide?
The IUPAC name of 3-iodo-N-(2-methyltetrazol-5-yl)benzamide (CID 824051) is 3-iodo-N-(2-methyltetrazol-5-yl)benzamide.
What is the SMILES notation for 3-iodo-N-(2-methyltetrazol-5-yl)benzamide?
The canonical SMILES for 3-iodo-N-(2-methyltetrazol-5-yl)benzamide is Cn1nnc(NC(=O)c2cccc(I)c2)n1.
What is the InChIKey of 3-iodo-N-(2-methyltetrazol-5-yl)benzamide?
The InChIKey is DXRWHGLGPXBETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8IN5O/c1-15-13-9(12-14-15)11-8(16)6-3-2-4-7(10)5-6/h2-5H,1H3,(H,11,13,16).
What are the key properties of 3-iodo-N-(2-methyltetrazol-5-yl)benzamide?
3-iodo-N-(2-methyltetrazol-5-yl)benzamide has a molecular weight of 329.10 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-(2-methyltetrazol-5-yl)benzamide is sourced from PubChem (CID 824051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).