2-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide

C10H10BrN5O — CID 103854330

IUPAC2-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide
SMILESCc1cccc(C(=O)NCc2nn[nH]n2)c1Br
InChIInChI=1S/C10H10BrN5O/c1-6-3-2-4-7(9(6)11)10(17)12-5-8-13-15-16-14-8/h2-4H,5H2,1H3,(H,12,17)(H,13,14,15,16)
InChIKeyBRDRJZPJRPDYCP-UHFFFAOYSA-N
MW296.13 g/mol
LogP1.20
Rot. Bonds3

About 2-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide

2-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide (PubChem CID 103854330) has the molecular formula C10H10BrN5O and a molecular weight of 296.13 g/mol. Its IUPAC name is 2-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name2-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide
PubChem CID103854330
Molecular FormulaC10H10BrN5O
Molecular Weight296.13 g/mol
Exact Mass295.01
IUPAC Name2-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide
SMILESCc1cccc(C(=O)NCc2nn[nH]n2)c1Br
InChIInChI=1S/C10H10BrN5O/c1-6-3-2-4-7(9(6)11)10(17)12-5-8-13-15-16-14-8/h2-4H,5H2,1H3,(H,12,17)(H,13,14,15,16)
InChIKeyBRDRJZPJRPDYCP-UHFFFAOYSA-N
XLogP1.20
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.13
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-3-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 113338730
4-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 112705937
4-fluoro-2-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 112702660
2-bromo-3-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 103854320
2,6-difluoro-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 82816611
2-bromo-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 113338677
2-bromo-N-[[4-(chloromethyl)phenyl]methyl]-3-methylbenzamide
CID 107984081
5-methyl-N-(2H-tetrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide
CID 63934294
2-[(2-bromo-3-methylbenzoyl)amino]acetic acid
CID 106703070
N-(2H-tetrazol-5-ylmethyl)benzamide
CID 23176761
2-bromo-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 107982625
2-bromo-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 113339241

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide?
The IUPAC name of 2-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide (CID 103854330) is 2-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide.
What is the SMILES notation for 2-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide?
The canonical SMILES for 2-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide is Cc1cccc(C(=O)NCc2nn[nH]n2)c1Br.
What is the InChIKey of 2-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide?
The InChIKey is BRDRJZPJRPDYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN5O/c1-6-3-2-4-7(9(6)11)10(17)12-5-8-13-15-16-14-8/h2-4H,5H2,1H3,(H,12,17)(H,13,14,15,16).
What are the key properties of 2-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide?
2-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide has a molecular weight of 296.13 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide is sourced from PubChem (CID 103854330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).