2-(4-bromophenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide

C16H13BrN4O — CID 17414942

IUPAC2-(4-bromophenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1n[nH]c(-c2ccccc2)n1
InChIInChI=1S/C16H13BrN4O/c17-13-8-6-11(7-9-13)10-14(22)18-16-19-15(20-21-16)12-4-2-1-3-5-12/h1-9H,10H2,(H2,18,19,20,21,22)
InChIKeyKMGISRHYAWPMEK-UHFFFAOYSA-N
MW357.21 g/mol
LogP3.42
Rot. Bonds4

About 2-(4-bromophenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide

2-(4-bromophenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide (PubChem CID 17414942) has the molecular formula C16H13BrN4O and a molecular weight of 357.21 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide
PubChem CID17414942
Molecular FormulaC16H13BrN4O
Molecular Weight357.21 g/mol
Exact Mass356.03
IUPAC Name2-(4-bromophenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1n[nH]c(-c2ccccc2)n1
InChIInChI=1S/C16H13BrN4O/c17-13-8-6-11(7-9-13)10-14(22)18-16-19-15(20-21-16)12-4-2-1-3-5-12/h1-9H,10H2,(H2,18,19,20,21,22)
InChIKeyKMGISRHYAWPMEK-UHFFFAOYSA-N
XLogP3.42
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-(5-phenyl-1H-1,2,4-triazol-3-yl)urea
CID 4885272
N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-1-ylacetamide
CID 9247060
N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxyacetamide
CID 9246778
N-(5-phenyl-1H-1,2,4-triazol-3-yl)hydroxylamine
CID 50915409
2-(3-chloro-4-fluorophenyl)-N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 11537271
2-(4-bromophenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 49035248
2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide
CID 122170084
N-[5-[4-(3-acetamido-1H-1,2,4-triazol-5-yl)phenyl]-1H-1,2,4-triazol-3-yl]acetamide
CID 44615693
N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 9247041
2-(2-chloro-6-fluorophenyl)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 9246817
2,2-dimethyl-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 56762489
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-bromophenyl)acetamide
CID 26196726

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide (CID 17414942) is 2-(4-bromophenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide is O=C(Cc1ccc(Br)cc1)Nc1n[nH]c(-c2ccccc2)n1.
What is the InChIKey of 2-(4-bromophenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide?
The InChIKey is KMGISRHYAWPMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4O/c17-13-8-6-11(7-9-13)10-14(22)18-16-19-15(20-21-16)12-4-2-1-3-5-12/h1-9H,10H2,(H2,18,19,20,21,22).
What are the key properties of 2-(4-bromophenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide?
2-(4-bromophenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide has a molecular weight of 357.21 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 17414942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).