2-[5-(4-bromophenyl)tetrazol-1-yl]-N-methylacetamide

C10H10BrN5O — CID 9421929

IUPAC2-[5-(4-bromophenyl)tetrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1nnnc1-c1ccc(Br)cc1
InChIInChI=1S/C10H10BrN5O/c1-12-9(17)6-16-10(13-14-15-16)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,12,17)
InChIKeyXFGWIAUKGVAYQL-UHFFFAOYSA-N
MW296.13 g/mol
LogP0.85
Rot. Bonds3

About 2-[5-(4-bromophenyl)tetrazol-1-yl]-N-methylacetamide

2-[5-(4-bromophenyl)tetrazol-1-yl]-N-methylacetamide (PubChem CID 9421929) has the molecular formula C10H10BrN5O and a molecular weight of 296.13 g/mol. Its IUPAC name is 2-[5-(4-bromophenyl)tetrazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[5-(4-bromophenyl)tetrazol-1-yl]-N-methylacetamide
PubChem CID9421929
Molecular FormulaC10H10BrN5O
Molecular Weight296.13 g/mol
Exact Mass295.01
IUPAC Name2-[5-(4-bromophenyl)tetrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1nnnc1-c1ccc(Br)cc1
InChIInChI=1S/C10H10BrN5O/c1-12-9(17)6-16-10(13-14-15-16)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,12,17)
InChIKeyXFGWIAUKGVAYQL-UHFFFAOYSA-N
XLogP0.85
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.13
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US11845767, Example 323
CID 170795422
N-[(3-methylphenyl)methyl]-2-(5-propyltetrazol-1-yl)acetamide
CID 71876752
2-(5-Phenyl-1h-tetrazol-1yl)acetamide
CID 5185534
N-[(2S)-4-(4-bromophenyl)butan-2-yl]-2-(tetrazol-1-yl)acetamide
CID 94477234
2-(5-phenyl-1H-tetrazol-1-yl)acetohydrazide
CID 25238208
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 8266713
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 8598108
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 9355664
2-(5-ethyltetrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 47358121
2-(5-tert-butyltetrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 51089386
N-[(5-bromo-2-fluorophenyl)methyl]-2-(tetrazol-1-yl)acetamide
CID 53504602
N-[(4-bromophenyl)methyl]-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide
CID 60272848

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-bromophenyl)tetrazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[5-(4-bromophenyl)tetrazol-1-yl]-N-methylacetamide (CID 9421929) is 2-[5-(4-bromophenyl)tetrazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[5-(4-bromophenyl)tetrazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[5-(4-bromophenyl)tetrazol-1-yl]-N-methylacetamide is CNC(=O)Cn1nnnc1-c1ccc(Br)cc1.
What is the InChIKey of 2-[5-(4-bromophenyl)tetrazol-1-yl]-N-methylacetamide?
The InChIKey is XFGWIAUKGVAYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN5O/c1-12-9(17)6-16-10(13-14-15-16)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,12,17).
What are the key properties of 2-[5-(4-bromophenyl)tetrazol-1-yl]-N-methylacetamide?
2-[5-(4-bromophenyl)tetrazol-1-yl]-N-methylacetamide has a molecular weight of 296.13 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-bromophenyl)tetrazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 9421929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).