3,5-diiodo-4-methoxy-N-(2H-tetrazol-5-yl)benzamide

C9H7I2N5O2 — CID 3027072

IUPAC3,5-diiodo-4-methoxy-N-(2H-tetrazol-5-yl)benzamide
SMILESCOc1c(I)cc(C(=O)Nc2nn[nH]n2)cc1I
InChIInChI=1S/C9H7I2N5O2/c1-18-7-5(10)2-4(3-6(7)11)8(17)12-9-13-15-16-14-9/h2-3H,1H3,(H2,12,13,14,15,16,17)
InChIKeyIAPREVONVOJWPF-UHFFFAOYSA-N
MW471.00 g/mol
LogP1.67
Rot. Bonds3

About 3,5-diiodo-4-methoxy-N-(2H-tetrazol-5-yl)benzamide

3,5-diiodo-4-methoxy-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 3027072) has the molecular formula C9H7I2N5O2 and a molecular weight of 471.00 g/mol. Its IUPAC name is 3,5-diiodo-4-methoxy-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name3,5-diiodo-4-methoxy-N-(2H-tetrazol-5-yl)benzamide
PubChem CID3027072
Molecular FormulaC9H7I2N5O2
Molecular Weight471.00 g/mol
Exact Mass470.87
IUPAC Name3,5-diiodo-4-methoxy-N-(2H-tetrazol-5-yl)benzamide
SMILESCOc1c(I)cc(C(=O)Nc2nn[nH]n2)cc1I
InChIInChI=1S/C9H7I2N5O2/c1-18-7-5(10)2-4(3-6(7)11)8(17)12-9-13-15-16-14-9/h2-3H,1H3,(H2,12,13,14,15,16,17)
InChIKeyIAPREVONVOJWPF-UHFFFAOYSA-N
XLogP1.67
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.00
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-diiodo-4-methoxy-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 3,5-diiodo-4-methoxy-N-(2H-tetrazol-5-yl)benzamide (CID 3027072) is 3,5-diiodo-4-methoxy-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 3,5-diiodo-4-methoxy-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 3,5-diiodo-4-methoxy-N-(2H-tetrazol-5-yl)benzamide is COc1c(I)cc(C(=O)Nc2nn[nH]n2)cc1I.
What is the InChIKey of 3,5-diiodo-4-methoxy-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is IAPREVONVOJWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7I2N5O2/c1-18-7-5(10)2-4(3-6(7)11)8(17)12-9-13-15-16-14-9/h2-3H,1H3,(H2,12,13,14,15,16,17).
What are the key properties of 3,5-diiodo-4-methoxy-N-(2H-tetrazol-5-yl)benzamide?
3,5-diiodo-4-methoxy-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 471.00 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diiodo-4-methoxy-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 3027072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).