2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-bromo-4-methylphenyl)acetamide

C14H18BrN5O — CID 63999160

IUPAC2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-bromo-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cc(C(C)(C)N)nn2)c(Br)c1
InChIInChI=1S/C14H18BrN5O/c1-9-4-5-11(10(15)6-9)17-13(21)8-20-7-12(18-19-20)14(2,3)16/h4-7H,8,16H2,1-3H3,(H,17,21)
InChIKeyQHQQDPYWQOJGHS-UHFFFAOYSA-N
MW352.24 g/mol
LogP2.18
Rot. Bonds4

About 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-bromo-4-methylphenyl)acetamide

2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-bromo-4-methylphenyl)acetamide (PubChem CID 63999160) has the molecular formula C14H18BrN5O and a molecular weight of 352.24 g/mol. Its IUPAC name is 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-bromo-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-bromo-4-methylphenyl)acetamide
PubChem CID63999160
Molecular FormulaC14H18BrN5O
Molecular Weight352.24 g/mol
Exact Mass351.07
IUPAC Name2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-bromo-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cc(C(C)(C)N)nn2)c(Br)c1
InChIInChI=1S/C14H18BrN5O/c1-9-4-5-11(10(15)6-9)17-13(21)8-20-7-12(18-19-20)14(2,3)16/h4-7H,8,16H2,1-3H3,(H,17,21)
InChIKeyQHQQDPYWQOJGHS-UHFFFAOYSA-N
XLogP2.18
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
2-[4-(aminomethyl)triazol-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 62053635
1-[2-(2-bromo-4-methylanilino)-2-oxoethyl]triazole-4,5-dicarboxylic acid
CID 112707385
2-(benzotriazol-1-yl)-N-(2-bromo-4-methylphenyl)acetamide
CID 856354
2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-butylacetamide
CID 63998333
methyl 1-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]triazole-4-carboxylate
CID 122241395
2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-phenylethyl)acetamide
CID 63999159
2-[4-(aminomethyl)triazol-1-yl]-N-(2-bromo-4-cyanophenyl)acetamide
CID 115459165
2-[4-(3-aminopropyl)triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 106220964
2-[2-(2-bromo-4-methylanilino)-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 81223180
N-(2-chloro-4-methylphenyl)-2-(4-formyltriazol-1-yl)acetamide
CID 66215979
N'-(2-bromo-4-methylphenyl)-2-methylbutanediamide
CID 82124662

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-bromo-4-methylphenyl)acetamide?
The IUPAC name of 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-bromo-4-methylphenyl)acetamide (CID 63999160) is 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-bromo-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-bromo-4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-bromo-4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2cc(C(C)(C)N)nn2)c(Br)c1.
What is the InChIKey of 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-bromo-4-methylphenyl)acetamide?
The InChIKey is QHQQDPYWQOJGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN5O/c1-9-4-5-11(10(15)6-9)17-13(21)8-20-7-12(18-19-20)14(2,3)16/h4-7H,8,16H2,1-3H3,(H,17,21).
What are the key properties of 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-bromo-4-methylphenyl)acetamide?
2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-bromo-4-methylphenyl)acetamide has a molecular weight of 352.24 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-bromo-4-methylphenyl)acetamide is sourced from PubChem (CID 63999160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).