5-bromo-2-methoxy-N-(2H-tetrazol-5-yl)benzamide

C9H8BrN5O2 — CID 13373933

IUPAC5-bromo-2-methoxy-N-(2H-tetrazol-5-yl)benzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1nn[nH]n1
InChIInChI=1S/C9H8BrN5O2/c1-17-7-3-2-5(10)4-6(7)8(16)11-9-12-14-15-13-9/h2-4H,1H3,(H2,11,12,13,14,15,16)
InChIKeyPKAZVIPPHWETJV-UHFFFAOYSA-N
MW298.10 g/mol
LogP1.22
Rot. Bonds3

About 5-bromo-2-methoxy-N-(2H-tetrazol-5-yl)benzamide

5-bromo-2-methoxy-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 13373933) has the molecular formula C9H8BrN5O2 and a molecular weight of 298.10 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-(2H-tetrazol-5-yl)benzamide
PubChem CID13373933
Molecular FormulaC9H8BrN5O2
Molecular Weight298.10 g/mol
Exact Mass296.99
IUPAC Name5-bromo-2-methoxy-N-(2H-tetrazol-5-yl)benzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1nn[nH]n1
InChIInChI=1S/C9H8BrN5O2/c1-17-7-3-2-5(10)4-6(7)8(16)11-9-12-14-15-13-9/h2-4H,1H3,(H2,11,12,13,14,15,16)
InChIKeyPKAZVIPPHWETJV-UHFFFAOYSA-N
XLogP1.22
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.10
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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5-bromo-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide
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3-acetyl-5-bromo-2-hydroxy-N-(2H-tetrazol-5-yl)benzamide
CID 13596086
3-bromo-4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide
CID 14276516
5-bromo-2-hydroxy-3-methoxy-N-(2H-tetrazol-5-yl)benzamide
CID 13596092
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2-methoxy-N-(1H-tetrazol-5-yl)benzamide
CID 887974

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 5-bromo-2-methoxy-N-(2H-tetrazol-5-yl)benzamide (CID 13373933) is 5-bromo-2-methoxy-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 5-bromo-2-methoxy-N-(2H-tetrazol-5-yl)benzamide is COc1ccc(Br)cc1C(=O)Nc1nn[nH]n1.
What is the InChIKey of 5-bromo-2-methoxy-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is PKAZVIPPHWETJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN5O2/c1-17-7-3-2-5(10)4-6(7)8(16)11-9-12-14-15-13-9/h2-4H,1H3,(H2,11,12,13,14,15,16).
What are the key properties of 5-bromo-2-methoxy-N-(2H-tetrazol-5-yl)benzamide?
5-bromo-2-methoxy-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 298.10 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 13373933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).