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

C10H8BrClN4O — CID 103479652

IUPACN-(2-bromo-3-chlorophenyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)Nc1cccc(Cl)c1Br
InChIInChI=1S/C10H8BrClN4O/c11-10-7(12)2-1-3-8(10)15-9(17)4-16-6-13-5-14-16/h1-3,5-6H,4H2,(H,15,17)
InChIKeyRMUZLXMFAWEPJN-UHFFFAOYSA-N
MW315.56 g/mol
LogP2.33
Rot. Bonds3

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

N-(2-bromo-3-chlorophenyl)-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 103479652) has the molecular formula C10H8BrClN4O and a molecular weight of 315.56 g/mol. Its IUPAC name is N-(2-bromo-3-chlorophenyl)-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-3-chlorophenyl)-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID103479652
Molecular FormulaC10H8BrClN4O
Molecular Weight315.56 g/mol
Exact Mass313.96
IUPAC NameN-(2-bromo-3-chlorophenyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)Nc1cccc(Cl)c1Br
InChIInChI=1S/C10H8BrClN4O/c11-10-7(12)2-1-3-8(10)15-9(17)4-16-6-13-5-14-16/h1-3,5-6H,4H2,(H,15,17)
InChIKeyRMUZLXMFAWEPJN-UHFFFAOYSA-N
XLogP2.33
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.56
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-amino-1,2,4-triazol-1-yl)-N-(2-bromo-3-chlorophenyl)acetamide
CID 103477123
N-(6-chloro-2-pyridinyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 115683262
N-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 47137005
N-(4-chloro-1,3-benzothiazol-2-yl)-2-(1,2,4-triazol-1-yl)acetamide
CID 43952342
2-bromo-N-(2-bromo-3-chlorophenyl)acetamide
CID 103478721
N-(2-cyano-3-fluorophenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 113234244
N-(2-chloro-5-cyanophenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 103747510
N-(2-bromo-3-chlorophenyl)-2-methylsulfanylacetamide
CID 103479840
N-(3-chloro-4-hydroxyphenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 64788698
N-(4-bromo-3,5-dimethylphenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 106491136
3-amino-N-(2-bromo-3-chlorophenyl)-3-sulfanylidenepropanamide
CID 103479588
5-hydroxy-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]benzoic acid
CID 61405729

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chlorophenyl)-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(2-bromo-3-chlorophenyl)-2-(1,2,4-triazol-1-yl)acetamide (CID 103479652) is N-(2-bromo-3-chlorophenyl)-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(2-bromo-3-chlorophenyl)-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(2-bromo-3-chlorophenyl)-2-(1,2,4-triazol-1-yl)acetamide is O=C(Cn1cncn1)Nc1cccc(Cl)c1Br.
What is the InChIKey of N-(2-bromo-3-chlorophenyl)-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is RMUZLXMFAWEPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN4O/c11-10-7(12)2-1-3-8(10)15-9(17)4-16-6-13-5-14-16/h1-3,5-6H,4H2,(H,15,17).
What are the key properties of N-(2-bromo-3-chlorophenyl)-2-(1,2,4-triazol-1-yl)acetamide?
N-(2-bromo-3-chlorophenyl)-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 315.56 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-chlorophenyl)-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 103479652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).