5-bromo-2-methoxy-N-(2-methyltetrazol-5-yl)benzamide

C10H10BrN5O2 — CID 824050

IUPAC5-bromo-2-methoxy-N-(2-methyltetrazol-5-yl)benzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1nnn(C)n1
InChIInChI=1S/C10H10BrN5O2/c1-16-14-10(13-15-16)12-9(17)7-5-6(11)3-4-8(7)18-2/h3-5H,1-2H3,(H,12,14,17)
InChIKeyGNKJGDXRVKYXEZ-UHFFFAOYSA-N
MW312.13 g/mol
LogP1.23
Rot. Bonds3

About 5-bromo-2-methoxy-N-(2-methyltetrazol-5-yl)benzamide

5-bromo-2-methoxy-N-(2-methyltetrazol-5-yl)benzamide (PubChem CID 824050) has the molecular formula C10H10BrN5O2 and a molecular weight of 312.13 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-(2-methyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-(2-methyltetrazol-5-yl)benzamide
PubChem CID824050
Molecular FormulaC10H10BrN5O2
Molecular Weight312.13 g/mol
Exact Mass311.00
IUPAC Name5-bromo-2-methoxy-N-(2-methyltetrazol-5-yl)benzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1nnn(C)n1
InChIInChI=1S/C10H10BrN5O2/c1-16-14-10(13-15-16)12-9(17)7-5-6(11)3-4-8(7)18-2/h3-5H,1-2H3,(H,12,14,17)
InChIKeyGNKJGDXRVKYXEZ-UHFFFAOYSA-N
XLogP1.23
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.13
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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5-bromo-2-hydroxy-3-methoxy-N-(2H-tetrazol-5-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-(2-methyltetrazol-5-yl)benzamide?
The IUPAC name of 5-bromo-2-methoxy-N-(2-methyltetrazol-5-yl)benzamide (CID 824050) is 5-bromo-2-methoxy-N-(2-methyltetrazol-5-yl)benzamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-(2-methyltetrazol-5-yl)benzamide?
The canonical SMILES for 5-bromo-2-methoxy-N-(2-methyltetrazol-5-yl)benzamide is COc1ccc(Br)cc1C(=O)Nc1nnn(C)n1.
What is the InChIKey of 5-bromo-2-methoxy-N-(2-methyltetrazol-5-yl)benzamide?
The InChIKey is GNKJGDXRVKYXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN5O2/c1-16-14-10(13-15-16)12-9(17)7-5-6(11)3-4-8(7)18-2/h3-5H,1-2H3,(H,12,14,17).
What are the key properties of 5-bromo-2-methoxy-N-(2-methyltetrazol-5-yl)benzamide?
5-bromo-2-methoxy-N-(2-methyltetrazol-5-yl)benzamide has a molecular weight of 312.13 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-(2-methyltetrazol-5-yl)benzamide is sourced from PubChem (CID 824050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).