2-amino-N-[[1-(2-bromo-3-chlorophenyl)triazol-4-yl]methyl]acetamide

C11H11BrClN5O — CID 103481334

IUPAC2-amino-N-[[1-(2-bromo-3-chlorophenyl)triazol-4-yl]methyl]acetamide
SMILESNCC(=O)NCc1cn(-c2cccc(Cl)c2Br)nn1
InChIInChI=1S/C11H11BrClN5O/c12-11-8(13)2-1-3-9(11)18-6-7(16-17-18)5-15-10(19)4-14/h1-3,6H,4-5,14H2,(H,15,19)
InChIKeyBEEWMVVSISQLIC-UHFFFAOYSA-N
MW344.60 g/mol
LogP1.26
Rot. Bonds4

About 2-amino-N-[[1-(2-bromo-3-chlorophenyl)triazol-4-yl]methyl]acetamide

2-amino-N-[[1-(2-bromo-3-chlorophenyl)triazol-4-yl]methyl]acetamide (PubChem CID 103481334) has the molecular formula C11H11BrClN5O and a molecular weight of 344.60 g/mol. Its IUPAC name is 2-amino-N-[[1-(2-bromo-3-chlorophenyl)triazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[1-(2-bromo-3-chlorophenyl)triazol-4-yl]methyl]acetamide
PubChem CID103481334
Molecular FormulaC11H11BrClN5O
Molecular Weight344.60 g/mol
Exact Mass342.98
IUPAC Name2-amino-N-[[1-(2-bromo-3-chlorophenyl)triazol-4-yl]methyl]acetamide
SMILESNCC(=O)NCc1cn(-c2cccc(Cl)c2Br)nn1
InChIInChI=1S/C11H11BrClN5O/c12-11-8(13)2-1-3-9(11)18-6-7(16-17-18)5-15-10(19)4-14/h1-3,6H,4-5,14H2,(H,15,19)
InChIKeyBEEWMVVSISQLIC-UHFFFAOYSA-N
XLogP1.26
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.60
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[[1-(3-chloro-2-methylphenyl)triazol-4-yl]methyl]acetamide
CID 114777897
2-amino-N-[(1-isoquinolin-8-yltriazol-4-yl)methyl]acetamide
CID 114778064
2-amino-N-[[1-(5-bromo-2-fluorophenyl)triazol-4-yl]methyl]acetamide
CID 114778017
N-[[1-(2-bromo-3-chlorophenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 103481809
1-(2-bromo-3-chlorophenyl)triazole-4-carboxylic acid
CID 103480414
2-amino-N-[[1-(3-ethylphenyl)triazol-4-yl]methyl]acetamide
CID 114777919
2-amino-N-[[1-[(2-bromo-3-fluorophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114778514
2-amino-N-[[1-[(2-bromophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114778147
2-amino-N-[[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114933223
2-amino-N-[[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)triazol-4-yl]methyl]acetamide
CID 114778570
2-[[1-(2,3-dichlorophenyl)triazol-4-yl]methylamino]propanoic acid
CID 120913278
2-amino-N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]acetamide
CID 114778471

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(2-bromo-3-chlorophenyl)triazol-4-yl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[1-(2-bromo-3-chlorophenyl)triazol-4-yl]methyl]acetamide (CID 103481334) is 2-amino-N-[[1-(2-bromo-3-chlorophenyl)triazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[1-(2-bromo-3-chlorophenyl)triazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[1-(2-bromo-3-chlorophenyl)triazol-4-yl]methyl]acetamide is NCC(=O)NCc1cn(-c2cccc(Cl)c2Br)nn1.
What is the InChIKey of 2-amino-N-[[1-(2-bromo-3-chlorophenyl)triazol-4-yl]methyl]acetamide?
The InChIKey is BEEWMVVSISQLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN5O/c12-11-8(13)2-1-3-9(11)18-6-7(16-17-18)5-15-10(19)4-14/h1-3,6H,4-5,14H2,(H,15,19).
What are the key properties of 2-amino-N-[[1-(2-bromo-3-chlorophenyl)triazol-4-yl]methyl]acetamide?
2-amino-N-[[1-(2-bromo-3-chlorophenyl)triazol-4-yl]methyl]acetamide has a molecular weight of 344.60 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(2-bromo-3-chlorophenyl)triazol-4-yl]methyl]acetamide is sourced from PubChem (CID 103481334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).