5-bromo-2-methoxy-3-methyl-N-(2-methyltetrazol-5-yl)benzamide

C11H12BrN5O2 — CID 953805

IUPAC5-bromo-2-methoxy-3-methyl-N-(2-methyltetrazol-5-yl)benzamide
SMILESCOc1c(C)cc(Br)cc1C(=O)Nc1nnn(C)n1
InChIInChI=1S/C11H12BrN5O2/c1-6-4-7(12)5-8(9(6)19-3)10(18)13-11-14-16-17(2)15-11/h4-5H,1-3H3,(H,13,15,18)
InChIKeyPZHOQRMTHFIVTK-UHFFFAOYSA-N
MW326.15 g/mol
LogP1.54
Rot. Bonds3

About 5-bromo-2-methoxy-3-methyl-N-(2-methyltetrazol-5-yl)benzamide

5-bromo-2-methoxy-3-methyl-N-(2-methyltetrazol-5-yl)benzamide (PubChem CID 953805) has the molecular formula C11H12BrN5O2 and a molecular weight of 326.15 g/mol. Its IUPAC name is 5-bromo-2-methoxy-3-methyl-N-(2-methyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-3-methyl-N-(2-methyltetrazol-5-yl)benzamide
PubChem CID953805
Molecular FormulaC11H12BrN5O2
Molecular Weight326.15 g/mol
Exact Mass325.02
IUPAC Name5-bromo-2-methoxy-3-methyl-N-(2-methyltetrazol-5-yl)benzamide
SMILESCOc1c(C)cc(Br)cc1C(=O)Nc1nnn(C)n1
InChIInChI=1S/C11H12BrN5O2/c1-6-4-7(12)5-8(9(6)19-3)10(18)13-11-14-16-17(2)15-11/h4-5H,1-3H3,(H,13,15,18)
InChIKeyPZHOQRMTHFIVTK-UHFFFAOYSA-N
XLogP1.54
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.15
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-3-methyl-N-(2-methyltetrazol-5-yl)benzamide?
The IUPAC name of 5-bromo-2-methoxy-3-methyl-N-(2-methyltetrazol-5-yl)benzamide (CID 953805) is 5-bromo-2-methoxy-3-methyl-N-(2-methyltetrazol-5-yl)benzamide.
What is the SMILES notation for 5-bromo-2-methoxy-3-methyl-N-(2-methyltetrazol-5-yl)benzamide?
The canonical SMILES for 5-bromo-2-methoxy-3-methyl-N-(2-methyltetrazol-5-yl)benzamide is COc1c(C)cc(Br)cc1C(=O)Nc1nnn(C)n1.
What is the InChIKey of 5-bromo-2-methoxy-3-methyl-N-(2-methyltetrazol-5-yl)benzamide?
The InChIKey is PZHOQRMTHFIVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5O2/c1-6-4-7(12)5-8(9(6)19-3)10(18)13-11-14-16-17(2)15-11/h4-5H,1-3H3,(H,13,15,18).
What are the key properties of 5-bromo-2-methoxy-3-methyl-N-(2-methyltetrazol-5-yl)benzamide?
5-bromo-2-methoxy-3-methyl-N-(2-methyltetrazol-5-yl)benzamide has a molecular weight of 326.15 g/mol, XLogP of 1.54, 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-3-methyl-N-(2-methyltetrazol-5-yl)benzamide is sourced from PubChem (CID 953805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).