N-(2-acetylphenyl)-1-(3-bromophenyl)triazole-4-carboxamide

C17H13BrN4O2 — CID 39090650

IUPACN-(2-acetylphenyl)-1-(3-bromophenyl)triazole-4-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)c1cn(-c2cccc(Br)c2)nn1
InChIInChI=1S/C17H13BrN4O2/c1-11(23)14-7-2-3-8-15(14)19-17(24)16-10-22(21-20-16)13-6-4-5-12(18)9-13/h2-10H,1H3,(H,19,24)
InChIKeyWKTIYQAYPTWHEQ-UHFFFAOYSA-N
MW385.22 g/mol
LogP3.48
Rot. Bonds4

About N-(2-acetylphenyl)-1-(3-bromophenyl)triazole-4-carboxamide

N-(2-acetylphenyl)-1-(3-bromophenyl)triazole-4-carboxamide (PubChem CID 39090650) has the molecular formula C17H13BrN4O2 and a molecular weight of 385.22 g/mol. Its IUPAC name is N-(2-acetylphenyl)-1-(3-bromophenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-1-(3-bromophenyl)triazole-4-carboxamide
PubChem CID39090650
Molecular FormulaC17H13BrN4O2
Molecular Weight385.22 g/mol
Exact Mass384.02
IUPAC NameN-(2-acetylphenyl)-1-(3-bromophenyl)triazole-4-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)c1cn(-c2cccc(Br)c2)nn1
InChIInChI=1S/C17H13BrN4O2/c1-11(23)14-7-2-3-8-15(14)19-17(24)16-10-22(21-20-16)13-6-4-5-12(18)9-13/h2-10H,1H3,(H,19,24)
InChIKeyWKTIYQAYPTWHEQ-UHFFFAOYSA-N
XLogP3.48
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.22
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-1-phenyltriazole-4-carboxamide
CID 39087725
N-(2-fluorophenyl)-1-(3-methoxyphenyl)triazole-4-carboxamide
CID 154801343
3-[(1-phenyltriazole-4-carbonyl)amino]benzoic acid
CID 71942422
1-phenyl-N-(2,4,5-trichlorophenyl)triazole-4-carboxamide
CID 99586321
N-(2-hydroxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 136929474
N-(2-acetylphenyl)-5-bromo-2-(tetrazol-1-yl)benzamide
CID 29135709
N-(2-fluorophenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 38953471
N-(4,5-dimethoxy-2-methylphenyl)-1-phenyltriazole-4-carboxamide
CID 46686504
N-(3-bromophenyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 30876088
N-(2-acetylphenyl)-5-bromo-2-fluorobenzamide
CID 24711733
1-(3-bromophenyl)-4-(carbamoylamino)pyrazole-3-carboxamide
CID 11313329
3-chloro-5-[(1-phenyltriazole-4-carbonyl)amino]benzoic acid
CID 146121578

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-1-(3-bromophenyl)triazole-4-carboxamide?
The IUPAC name of N-(2-acetylphenyl)-1-(3-bromophenyl)triazole-4-carboxamide (CID 39090650) is N-(2-acetylphenyl)-1-(3-bromophenyl)triazole-4-carboxamide.
What is the SMILES notation for N-(2-acetylphenyl)-1-(3-bromophenyl)triazole-4-carboxamide?
The canonical SMILES for N-(2-acetylphenyl)-1-(3-bromophenyl)triazole-4-carboxamide is CC(=O)c1ccccc1NC(=O)c1cn(-c2cccc(Br)c2)nn1.
What is the InChIKey of N-(2-acetylphenyl)-1-(3-bromophenyl)triazole-4-carboxamide?
The InChIKey is WKTIYQAYPTWHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN4O2/c1-11(23)14-7-2-3-8-15(14)19-17(24)16-10-22(21-20-16)13-6-4-5-12(18)9-13/h2-10H,1H3,(H,19,24).
What are the key properties of N-(2-acetylphenyl)-1-(3-bromophenyl)triazole-4-carboxamide?
N-(2-acetylphenyl)-1-(3-bromophenyl)triazole-4-carboxamide has a molecular weight of 385.22 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-1-(3-bromophenyl)triazole-4-carboxamide is sourced from PubChem (CID 39090650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).