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

C22H17BrN4O — CID 1068920

IUPACN-(4-bromophenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)nc1-c1ccccc1)Nc1ccc(Br)cc1
InChIInChI=1S/C22H17BrN4O/c23-18-11-13-19(14-12-18)24-20(28)15-27-22(17-9-5-2-6-10-17)25-21(26-27)16-7-3-1-4-8-16/h1-14H,15H2,(H,24,28)
InChIKeyHCJBFHKOSFEJOL-UHFFFAOYSA-N
MW433.31 g/mol
LogP5.01
Rot. Bonds5

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

N-(4-bromophenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide (PubChem CID 1068920) has the molecular formula C22H17BrN4O and a molecular weight of 433.31 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide
PubChem CID1068920
Molecular FormulaC22H17BrN4O
Molecular Weight433.31 g/mol
Exact Mass432.06
IUPAC NameN-(4-bromophenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)nc1-c1ccccc1)Nc1ccc(Br)cc1
InChIInChI=1S/C22H17BrN4O/c23-18-11-13-19(14-12-18)24-20(28)15-27-22(17-9-5-2-6-10-17)25-21(26-27)16-7-3-1-4-8-16/h1-14H,15H2,(H,24,28)
InChIKeyHCJBFHKOSFEJOL-UHFFFAOYSA-N
XLogP5.01
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.31
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide
CID 1147433
N-(2,5-dimethylphenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide
CID 995141
2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide
CID 855851
methyl 2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetate
CID 43839948
N-(4-bromophenyl)-2-(4-phenyltriazol-1-yl)acetamide
CID 138373884
N-[4-[1-[2-(cyclohexylamino)-2-oxoethyl]-5-phenyl-1,2,4-triazol-3-yl]phenyl]-3-methylbenzamide
CID 23969539
N-(4-bromophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 3424569
2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-phenylacetamide
CID 555265
2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-N-(4-bromophenyl)acetamide
CID 2329814
2-(4-bromopyrazol-1-yl)-N-(4-phenylphenyl)acetamide
CID 19524588
N-(4-hydroxyphenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide
CID 177373845
N-(4-bromophenyl)-2-[4-(dimethylamino)-1-oxophthalazin-2-yl]acetamide
CID 53136998

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide (CID 1068920) is N-(4-bromophenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide is O=C(Cn1nc(-c2ccccc2)nc1-c1ccccc1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide?
The InChIKey is HCJBFHKOSFEJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN4O/c23-18-11-13-19(14-12-18)24-20(28)15-27-22(17-9-5-2-6-10-17)25-21(26-27)16-7-3-1-4-8-16/h1-14H,15H2,(H,24,28).
What are the key properties of N-(4-bromophenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide?
N-(4-bromophenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide has a molecular weight of 433.31 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 1068920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).