2-bromo-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide

C10H9BrN4O — CID 63680079

IUPAC2-bromo-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
SMILESO=C(CBr)Nc1ccc(-n2cncn2)cc1
InChIInChI=1S/C10H9BrN4O/c11-5-10(16)14-8-1-3-9(4-2-8)15-7-12-6-13-15/h1-4,6-7H,5H2,(H,14,16)
InChIKeyFZQCLPXGWMYSCQ-UHFFFAOYSA-N
MW281.11 g/mol
LogP1.60
Rot. Bonds3

About 2-bromo-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide

2-bromo-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide (PubChem CID 63680079) has the molecular formula C10H9BrN4O and a molecular weight of 281.11 g/mol. Its IUPAC name is 2-bromo-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
PubChem CID63680079
Molecular FormulaC10H9BrN4O
Molecular Weight281.11 g/mol
Exact Mass280.00
IUPAC Name2-bromo-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
SMILESO=C(CBr)Nc1ccc(-n2cncn2)cc1
InChIInChI=1S/C10H9BrN4O/c11-5-10(16)14-8-1-3-9(4-2-8)15-7-12-6-13-15/h1-4,6-7H,5H2,(H,14,16)
InChIKeyFZQCLPXGWMYSCQ-UHFFFAOYSA-N
XLogP1.60
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-methylsulfanyl-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 47156538
2-[2-oxo-2-[4-(1,2,4-triazol-1-yl)anilino]ethyl]sulfanylacetic acid
CID 104569135
[4-(1,2,4-triazol-1-yl)phenyl]carbamic acid
CID 66927702
5-oxo-5-[4-(1,2,4-triazol-1-yl)anilino]pentanoic acid
CID 60934318
(E)-4-oxo-4-[4-(1,2,4-triazol-1-yl)anilino]but-2-enoic acid
CID 54867041
(2S)-2-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 79024180
4-(4-ethylphenyl)-4-oxo-N-[4-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 37122275
2-(4-oxo-1,3-thiazolidin-3-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 37121401
6-[(2-sulfanylacetyl)amino]-N-[4-(1,2,4-triazol-1-yl)phenyl]hexanamide
CID 11551982
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 37121675
2-methoxy-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 47303590
2-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 62834156

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-bromo-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide (CID 63680079) is 2-bromo-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-bromo-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-bromo-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide is O=C(CBr)Nc1ccc(-n2cncn2)cc1.
What is the InChIKey of 2-bromo-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide?
The InChIKey is FZQCLPXGWMYSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O/c11-5-10(16)14-8-1-3-9(4-2-8)15-7-12-6-13-15/h1-4,6-7H,5H2,(H,14,16).
What are the key properties of 2-bromo-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide?
2-bromo-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide has a molecular weight of 281.11 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 63680079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).