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

C9H8BrN5O — CID 953438

IUPAC2-bromo-N-(2-methyltetrazol-5-yl)benzamide
SMILESCn1nnc(NC(=O)c2ccccc2Br)n1
InChIInChI=1S/C9H8BrN5O/c1-15-13-9(12-14-15)11-8(16)6-4-2-3-5-7(6)10/h2-5H,1H3,(H,11,13,16)
InChIKeyJYCAGHLOGOWJDS-UHFFFAOYSA-N
MW282.10 g/mol
LogP1.22
Rot. Bonds2

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

2-bromo-N-(2-methyltetrazol-5-yl)benzamide (PubChem CID 953438) has the molecular formula C9H8BrN5O and a molecular weight of 282.10 g/mol. Its IUPAC name is 2-bromo-N-(2-methyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(2-methyltetrazol-5-yl)benzamide
PubChem CID953438
Molecular FormulaC9H8BrN5O
Molecular Weight282.10 g/mol
Exact Mass280.99
IUPAC Name2-bromo-N-(2-methyltetrazol-5-yl)benzamide
SMILESCn1nnc(NC(=O)c2ccccc2Br)n1
InChIInChI=1S/C9H8BrN5O/c1-15-13-9(12-14-15)11-8(16)6-4-2-3-5-7(6)10/h2-5H,1H3,(H,11,13,16)
InChIKeyJYCAGHLOGOWJDS-UHFFFAOYSA-N
XLogP1.22
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(2-methyltetrazol-5-yl)pyridine-3-carboxamide
CID 938393
2-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide
CID 39854030
2,3-difluoro-N-(2-methyltetrazol-5-yl)pyridine-4-carboxamide
CID 105381449
4-tert-butyl-N-(2-methyltetrazol-5-yl)benzamide
CID 645076
N-(2-methyltetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 75430284
2-bromo-N-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 11097996
2-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 17422742
2-bromo-N-(3,5-dimethylphenyl)benzamide
CID 710587
4-amino-3-hydroxy-N-(2-methyltetrazol-5-yl)benzamide
CID 137006878
2-methyl-N-(2-methyltetrazol-5-yl)-2-phenoxypropanamide
CID 30309509
4-[(2-bromobenzoyl)amino]-1-ethyl-3-methylpyrazole-5-carboxamide
CID 75537904
2-bromo-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 54878197

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methyltetrazol-5-yl)benzamide?
The IUPAC name of 2-bromo-N-(2-methyltetrazol-5-yl)benzamide (CID 953438) is 2-bromo-N-(2-methyltetrazol-5-yl)benzamide.
What is the SMILES notation for 2-bromo-N-(2-methyltetrazol-5-yl)benzamide?
The canonical SMILES for 2-bromo-N-(2-methyltetrazol-5-yl)benzamide is Cn1nnc(NC(=O)c2ccccc2Br)n1.
What is the InChIKey of 2-bromo-N-(2-methyltetrazol-5-yl)benzamide?
The InChIKey is JYCAGHLOGOWJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN5O/c1-15-13-9(12-14-15)11-8(16)6-4-2-3-5-7(6)10/h2-5H,1H3,(H,11,13,16).
What are the key properties of 2-bromo-N-(2-methyltetrazol-5-yl)benzamide?
2-bromo-N-(2-methyltetrazol-5-yl)benzamide has a molecular weight of 282.10 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methyltetrazol-5-yl)benzamide is sourced from PubChem (CID 953438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).