N-(4-bromophenyl)-2-(4-phenyltriazol-1-yl)acetamide

C16H13BrN4O — CID 138373884

IUPACN-(4-bromophenyl)-2-(4-phenyltriazol-1-yl)acetamide
SMILESO=C(Cn1cc(-c2ccccc2)nn1)Nc1ccc(Br)cc1
InChIInChI=1S/C16H13BrN4O/c17-13-6-8-14(9-7-13)18-16(22)11-21-10-15(19-20-21)12-4-2-1-3-5-12/h1-10H,11H2,(H,18,22)
InChIKeyCJZNXYTXQONISB-UHFFFAOYSA-N
MW357.21 g/mol
LogP3.35
Rot. Bonds4

About N-(4-bromophenyl)-2-(4-phenyltriazol-1-yl)acetamide

N-(4-bromophenyl)-2-(4-phenyltriazol-1-yl)acetamide (PubChem CID 138373884) has the molecular formula C16H13BrN4O and a molecular weight of 357.21 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(4-phenyltriazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(4-phenyltriazol-1-yl)acetamide
PubChem CID138373884
Molecular FormulaC16H13BrN4O
Molecular Weight357.21 g/mol
Exact Mass356.03
IUPAC NameN-(4-bromophenyl)-2-(4-phenyltriazol-1-yl)acetamide
SMILESO=C(Cn1cc(-c2ccccc2)nn1)Nc1ccc(Br)cc1
InChIInChI=1S/C16H13BrN4O/c17-13-6-8-14(9-7-13)18-16(22)11-21-10-15(19-20-21)12-4-2-1-3-5-12/h1-10H,11H2,(H,18,22)
InChIKeyCJZNXYTXQONISB-UHFFFAOYSA-N
XLogP3.35
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromopyrazol-1-yl)-N-(4-phenylphenyl)acetamide
CID 19524588
N-(1,3-benzothiazol-2-yl)-2-(4-phenyltriazol-1-yl)acetamide
CID 162421443
2-(4-phenyltriazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 163355208
2-[4-(4-methylphenyl)triazol-1-yl]-N-(4-nitrophenyl)acetamide
CID 138373950
N-[4-(methanesulfonamido)-3-phenoxyphenyl]-2-(4-phenyltriazol-1-yl)acetamide
CID 72725405
N-(4-bromophenyl)-2-[4-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]triazol-1-yl]acetamide
CID 155806132
1-[2-(3-bromoanilino)-2-oxoethyl]triazole-4-carboxylic acid
CID 62059614
(E)-2-[[2-(4-phenyltriazol-1-yl)acetyl]amino]hex-4-enoic acid
CID 120693470
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-phenyltriazol-1-yl)acetamide
CID 172988377
(1R)-1-(4-bromophenyl)-2-(4-phenyltriazol-1-yl)ethanol
CID 134822246
1-(4-bromophenyl)-2-[4-(4-methylphenyl)triazol-1-yl]ethanone
CID 53319965
N-(4-bromophenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide
CID 1068920

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(4-phenyltriazol-1-yl)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(4-phenyltriazol-1-yl)acetamide (CID 138373884) is N-(4-bromophenyl)-2-(4-phenyltriazol-1-yl)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(4-phenyltriazol-1-yl)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(4-phenyltriazol-1-yl)acetamide is O=C(Cn1cc(-c2ccccc2)nn1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(4-phenyltriazol-1-yl)acetamide?
The InChIKey is CJZNXYTXQONISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4O/c17-13-6-8-14(9-7-13)18-16(22)11-21-10-15(19-20-21)12-4-2-1-3-5-12/h1-10H,11H2,(H,18,22).
What are the key properties of N-(4-bromophenyl)-2-(4-phenyltriazol-1-yl)acetamide?
N-(4-bromophenyl)-2-(4-phenyltriazol-1-yl)acetamide has a molecular weight of 357.21 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(4-phenyltriazol-1-yl)acetamide is sourced from PubChem (CID 138373884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).