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

C10H10BrN5O — CID 104852902

IUPAC3-bromo-5-methyl-N-(2-methyltetrazol-5-yl)benzamide
SMILESCc1cc(Br)cc(C(=O)Nc2nnn(C)n2)c1
InChIInChI=1S/C10H10BrN5O/c1-6-3-7(5-8(11)4-6)9(17)12-10-13-15-16(2)14-10/h3-5H,1-2H3,(H,12,14,17)
InChIKeyOEMIUYKKKWWIIT-UHFFFAOYSA-N
MW296.13 g/mol
LogP1.53
Rot. Bonds2

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

3-bromo-5-methyl-N-(2-methyltetrazol-5-yl)benzamide (PubChem CID 104852902) has the molecular formula C10H10BrN5O and a molecular weight of 296.13 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-(2-methyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-bromo-5-methyl-N-(2-methyltetrazol-5-yl)benzamide
PubChem CID104852902
Molecular FormulaC10H10BrN5O
Molecular Weight296.13 g/mol
Exact Mass295.01
IUPAC Name3-bromo-5-methyl-N-(2-methyltetrazol-5-yl)benzamide
SMILESCc1cc(Br)cc(C(=O)Nc2nnn(C)n2)c1
InChIInChI=1S/C10H10BrN5O/c1-6-3-7(5-8(11)4-6)9(17)12-10-13-15-16(2)14-10/h3-5H,1-2H3,(H,12,14,17)
InChIKeyOEMIUYKKKWWIIT-UHFFFAOYSA-N
XLogP1.53
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.13
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-5-methyl-N-(4-methyl-1,2,4-triazol-3-yl)benzamide
CID 99703368
3-bromo-N-(1,3-dimethylpyrazol-4-yl)-5-methylbenzamide
CID 104853786
4-tert-butyl-N-(2-methyltetrazol-5-yl)benzamide
CID 645076
3,5-dimethyl-N-(2-prop-2-enyltetrazol-5-yl)benzamide
CID 17177253
3-iodo-N-(2-methyltetrazol-5-yl)benzamide
CID 824051
3-bromo-5-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 104851725
4-amino-3-hydroxy-N-(2-methyltetrazol-5-yl)benzamide
CID 137006878
3-bromo-N-(5-bromo-6-methyl-2-pyridinyl)-5-methylbenzamide
CID 113460607
3-bromo-N-(3-fluoro-5-methylphenyl)-5-methylbenzamide
CID 113460801
N-(2-methyltetrazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 959481
5-bromo-2-methoxy-3-methyl-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
CID 2961322
N-(4-acetylphenyl)-3-bromo-5-methylbenzamide
CID 104851617

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-(2-methyltetrazol-5-yl)benzamide?
The IUPAC name of 3-bromo-5-methyl-N-(2-methyltetrazol-5-yl)benzamide (CID 104852902) is 3-bromo-5-methyl-N-(2-methyltetrazol-5-yl)benzamide.
What is the SMILES notation for 3-bromo-5-methyl-N-(2-methyltetrazol-5-yl)benzamide?
The canonical SMILES for 3-bromo-5-methyl-N-(2-methyltetrazol-5-yl)benzamide is Cc1cc(Br)cc(C(=O)Nc2nnn(C)n2)c1.
What is the InChIKey of 3-bromo-5-methyl-N-(2-methyltetrazol-5-yl)benzamide?
The InChIKey is OEMIUYKKKWWIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN5O/c1-6-3-7(5-8(11)4-6)9(17)12-10-13-15-16(2)14-10/h3-5H,1-2H3,(H,12,14,17).
What are the key properties of 3-bromo-5-methyl-N-(2-methyltetrazol-5-yl)benzamide?
3-bromo-5-methyl-N-(2-methyltetrazol-5-yl)benzamide has a molecular weight of 296.13 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N-(2-methyltetrazol-5-yl)benzamide is sourced from PubChem (CID 104852902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).