N-(3-bromo-4-methylphenyl)-2-(triazol-1-yl)acetamide

C11H11BrN4O — CID 79832173

IUPACN-(3-bromo-4-methylphenyl)-2-(triazol-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2ccnn2)cc1Br
InChIInChI=1S/C11H11BrN4O/c1-8-2-3-9(6-10(8)12)14-11(17)7-16-5-4-13-15-16/h2-6H,7H2,1H3,(H,14,17)
InChIKeyUAKPLGNZVSMGMP-UHFFFAOYSA-N
MW295.14 g/mol
LogP1.99
Rot. Bonds3

About N-(3-bromo-4-methylphenyl)-2-(triazol-1-yl)acetamide

N-(3-bromo-4-methylphenyl)-2-(triazol-1-yl)acetamide (PubChem CID 79832173) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-2-(triazol-1-yl)acetamide
PubChem CID79832173
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC NameN-(3-bromo-4-methylphenyl)-2-(triazol-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2ccnn2)cc1Br
InChIInChI=1S/C11H11BrN4O/c1-8-2-3-9(6-10(8)12)14-11(17)7-16-5-4-13-15-16/h2-6H,7H2,1H3,(H,14,17)
InChIKeyUAKPLGNZVSMGMP-UHFFFAOYSA-N
XLogP1.99
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[[2-(triazol-1-yl)acetyl]amino]benzoic acid
CID 113291668
N-(4-hydroxy-3-methylphenyl)-2-(triazol-1-yl)acetamide
CID 113290212
N-(4-bromo-3-chlorophenyl)-2-(triazol-1-yl)acetamide
CID 103824714
N-(3-bromo-4-methylphenyl)-2-chloroacetamide
CID 2110928
N-[3-(methylaminomethyl)phenyl]-2-(triazol-1-yl)acetamide
CID 81481429
N-[4-bromo-3-[(3S)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-2-(triazol-1-yl)acetamide
CID 155515130
N-(3,5-dichloro-4-hydroxyphenyl)-2-(triazol-1-yl)acetamide
CID 82885275
N-(4-bromo-3-chlorophenyl)-3-(triazol-1-yl)propanamide
CID 103824710
N-(3-bromo-4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634201
N-(3-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide;hydrochloride
CID 90485324
3-amino-N-(3-bromo-4-methylphenyl)-3-sulfanylidenepropanamide
CID 63334451
N-(3-bromo-4-methylphenyl)-2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetamide
CID 113201916

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-2-(triazol-1-yl)acetamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-2-(triazol-1-yl)acetamide (CID 79832173) is N-(3-bromo-4-methylphenyl)-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-2-(triazol-1-yl)acetamide is Cc1ccc(NC(=O)Cn2ccnn2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-2-(triazol-1-yl)acetamide?
The InChIKey is UAKPLGNZVSMGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c1-8-2-3-9(6-10(8)12)14-11(17)7-16-5-4-13-15-16/h2-6H,7H2,1H3,(H,14,17).
What are the key properties of N-(3-bromo-4-methylphenyl)-2-(triazol-1-yl)acetamide?
N-(3-bromo-4-methylphenyl)-2-(triazol-1-yl)acetamide has a molecular weight of 295.14 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 79832173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).