3,5-diiodo-N-(2H-tetrazol-5-yl)benzamide

C8H5I2N5O — CID 3027075

IUPAC3,5-diiodo-N-(2H-tetrazol-5-yl)benzamide
SMILESO=C(Nc1nn[nH]n1)c1cc(I)cc(I)c1
InChIInChI=1S/C8H5I2N5O/c9-5-1-4(2-6(10)3-5)7(16)11-8-12-14-15-13-8/h1-3H,(H2,11,12,13,14,15,16)
InChIKeyKVXJJLKTCOXUII-UHFFFAOYSA-N
MW440.97 g/mol
LogP1.66
Rot. Bonds2

About 3,5-diiodo-N-(2H-tetrazol-5-yl)benzamide

3,5-diiodo-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 3027075) has the molecular formula C8H5I2N5O and a molecular weight of 440.97 g/mol. Its IUPAC name is 3,5-diiodo-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name3,5-diiodo-N-(2H-tetrazol-5-yl)benzamide
PubChem CID3027075
Molecular FormulaC8H5I2N5O
Molecular Weight440.97 g/mol
Exact Mass440.86
IUPAC Name3,5-diiodo-N-(2H-tetrazol-5-yl)benzamide
SMILESO=C(Nc1nn[nH]n1)c1cc(I)cc(I)c1
InChIInChI=1S/C8H5I2N5O/c9-5-1-4(2-6(10)3-5)7(16)11-8-12-14-15-13-8/h1-3H,(H2,11,12,13,14,15,16)
InChIKeyKVXJJLKTCOXUII-UHFFFAOYSA-N
XLogP1.66
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.97
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N,2-N-bis(2H-tetrazol-5-yl)benzene-1,2-dicarboxamide
CID 3402764
N-(2H-tetrazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 897407
4-propan-2-yl-N-(2H-tetrazol-5-yl)benzamide
CID 5192520
3-fluoro-4-pyrrol-1-yl-N-(2H-tetrazol-5-yl)benzamide
CID 56826852
2-hydroxy-5-methyl-N,3-bis(2H-tetrazol-5-yl)benzamide
CID 135703080
5-amino-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide
CID 135703076
5-fluoro-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide
CID 12962771
3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2H-tetrazol-5-yl)benzamide
CID 71700893
N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 84554106
4-(cyclopropylmethoxy)-N-(2H-tetrazol-5-yl)benzamide
CID 52885534
4-amino-2-methyl-N-(2H-tetrazol-5-yl)benzamide
CID 70532578
2-methyl-N-(2H-tetrazol-5-yl)-1H-imidazole-5-carboxamide
CID 139628196

Frequently Asked Questions

What is the IUPAC name of 3,5-diiodo-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 3,5-diiodo-N-(2H-tetrazol-5-yl)benzamide (CID 3027075) is 3,5-diiodo-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 3,5-diiodo-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 3,5-diiodo-N-(2H-tetrazol-5-yl)benzamide is O=C(Nc1nn[nH]n1)c1cc(I)cc(I)c1.
What is the InChIKey of 3,5-diiodo-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is KVXJJLKTCOXUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5I2N5O/c9-5-1-4(2-6(10)3-5)7(16)11-8-12-14-15-13-8/h1-3H,(H2,11,12,13,14,15,16).
What are the key properties of 3,5-diiodo-N-(2H-tetrazol-5-yl)benzamide?
3,5-diiodo-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 440.97 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diiodo-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 3027075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).