N-(4-bromophenyl)-4-(5-methyltriazol-1-yl)benzamide

C16H13BrN4O — CID 16648820

IUPACN-(4-bromophenyl)-4-(5-methyltriazol-1-yl)benzamide
SMILESCc1cnnn1-c1ccc(C(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H13BrN4O/c1-11-10-18-20-21(11)15-8-2-12(3-9-15)16(22)19-14-6-4-13(17)5-7-14/h2-10H,1H3,(H,19,22)
InChIKeySUZLBGNMRBSIMO-UHFFFAOYSA-N
MW357.21 g/mol
LogP3.59
Rot. Bonds3

About N-(4-bromophenyl)-4-(5-methyltriazol-1-yl)benzamide

N-(4-bromophenyl)-4-(5-methyltriazol-1-yl)benzamide (PubChem CID 16648820) has the molecular formula C16H13BrN4O and a molecular weight of 357.21 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-(5-methyltriazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-(5-methyltriazol-1-yl)benzamide
PubChem CID16648820
Molecular FormulaC16H13BrN4O
Molecular Weight357.21 g/mol
Exact Mass356.03
IUPAC NameN-(4-bromophenyl)-4-(5-methyltriazol-1-yl)benzamide
SMILESCc1cnnn1-c1ccc(C(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H13BrN4O/c1-11-10-18-20-21(11)15-8-2-12(3-9-15)16(22)19-14-6-4-13(17)5-7-14/h2-10H,1H3,(H,19,22)
InChIKeySUZLBGNMRBSIMO-UHFFFAOYSA-N
XLogP3.59
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 4862154
4-bromo-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide
CID 50882091
4-(5-methyltriazol-1-yl)-N-naphthalen-1-ylbenzamide
CID 16648879
N-[4-[5-(4-bromophenyl)triazol-1-yl]phenyl]-3,4,5-triethoxybenzamide
CID 5179506
N-(4-chlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide
CID 16652238
5-methyl-N-[4-(5-methyltriazol-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 17014859
N-(4-bromophenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323885
2-amino-1-[4-(5-methyltriazol-1-yl)phenyl]ethanone
CID 170860636
4-bromo-N-[4-[3-ethoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]benzamide
CID 1027010
1-(2,5-dimethylphenyl)-5-methyl-N-[4-(5-methyltriazol-1-yl)phenyl]triazole-4-carboxamide
CID 16649473
1-(4-bromophenyl)-5-methyl-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 55892348
4-bromo-N-[4-(carbamoylamino)phenyl]benzamide
CID 33151789

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-(5-methyltriazol-1-yl)benzamide?
The IUPAC name of N-(4-bromophenyl)-4-(5-methyltriazol-1-yl)benzamide (CID 16648820) is N-(4-bromophenyl)-4-(5-methyltriazol-1-yl)benzamide.
What is the SMILES notation for N-(4-bromophenyl)-4-(5-methyltriazol-1-yl)benzamide?
The canonical SMILES for N-(4-bromophenyl)-4-(5-methyltriazol-1-yl)benzamide is Cc1cnnn1-c1ccc(C(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-4-(5-methyltriazol-1-yl)benzamide?
The InChIKey is SUZLBGNMRBSIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4O/c1-11-10-18-20-21(11)15-8-2-12(3-9-15)16(22)19-14-6-4-13(17)5-7-14/h2-10H,1H3,(H,19,22).
What are the key properties of N-(4-bromophenyl)-4-(5-methyltriazol-1-yl)benzamide?
N-(4-bromophenyl)-4-(5-methyltriazol-1-yl)benzamide has a molecular weight of 357.21 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-(5-methyltriazol-1-yl)benzamide is sourced from PubChem (CID 16648820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).