2-(4-bromophenyl)-N-(1-methyltriazol-4-yl)acetamide

C11H11BrN4O — CID 112535381

IUPAC2-(4-bromophenyl)-N-(1-methyltriazol-4-yl)acetamide
SMILESCn1cc(NC(=O)Cc2ccc(Br)cc2)nn1
InChIInChI=1S/C11H11BrN4O/c1-16-7-10(14-15-16)13-11(17)6-8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3,(H,13,17)
InChIKeyQZMYCDZZDRIWAI-UHFFFAOYSA-N
MW295.14 g/mol
LogP1.76
Rot. Bonds3

About 2-(4-bromophenyl)-N-(1-methyltriazol-4-yl)acetamide

2-(4-bromophenyl)-N-(1-methyltriazol-4-yl)acetamide (PubChem CID 112535381) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(1-methyltriazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(1-methyltriazol-4-yl)acetamide
PubChem CID112535381
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name2-(4-bromophenyl)-N-(1-methyltriazol-4-yl)acetamide
SMILESCn1cc(NC(=O)Cc2ccc(Br)cc2)nn1
InChIInChI=1S/C11H11BrN4O/c1-16-7-10(14-15-16)13-11(17)6-8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3,(H,13,17)
InChIKeyQZMYCDZZDRIWAI-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-3-(1-methyltriazol-4-yl)propan-2-one
CID 107046831
N-(1-methyltriazol-4-yl)-2-pyridin-3-ylacetamide
CID 112535349
2-(4-bromophenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]acetamide
CID 113037981
N-(1-methyltriazol-4-yl)butanamide
CID 130694162
2-(4-bromophenyl)-N-(5-bromo-2-pyridinyl)acetamide
CID 29260244
1-[(3,4-dimethylphenyl)methyl]-3-(1-methyltriazol-4-yl)urea
CID 72867320
3-(4-methylpiperazin-1-yl)-N-(1-methyltriazol-4-yl)propanamide
CID 112535355
N-(1-methyltriazol-4-yl)-3-piperidin-1-ylpropanamide
CID 112535356
2-(4-bromophenyl)-N-[6-(dipropylamino)pyridazin-3-yl]acetamide
CID 113045186
2-(4-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113039247
2-(4-bromophenyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 115589896
2-(4-bromophenyl)-N-tert-butylacetamide
CID 3273942

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(1-methyltriazol-4-yl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(1-methyltriazol-4-yl)acetamide (CID 112535381) is 2-(4-bromophenyl)-N-(1-methyltriazol-4-yl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(1-methyltriazol-4-yl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(1-methyltriazol-4-yl)acetamide is Cn1cc(NC(=O)Cc2ccc(Br)cc2)nn1.
What is the InChIKey of 2-(4-bromophenyl)-N-(1-methyltriazol-4-yl)acetamide?
The InChIKey is QZMYCDZZDRIWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c1-16-7-10(14-15-16)13-11(17)6-8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3,(H,13,17).
What are the key properties of 2-(4-bromophenyl)-N-(1-methyltriazol-4-yl)acetamide?
2-(4-bromophenyl)-N-(1-methyltriazol-4-yl)acetamide has a molecular weight of 295.14 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(1-methyltriazol-4-yl)acetamide is sourced from PubChem (CID 112535381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).