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

C24H22N4O — CID 995141

IUPACN-(2,5-dimethylphenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide
SMILESCc1ccc(C)c(NC(=O)Cn2nc(-c3ccccc3)nc2-c2ccccc2)c1
InChIInChI=1S/C24H22N4O/c1-17-13-14-18(2)21(15-17)25-22(29)16-28-24(20-11-7-4-8-12-20)26-23(27-28)19-9-5-3-6-10-19/h3-15H,16H2,1-2H3,(H,25,29)
InChIKeyFMKNCMJYVMQASZ-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.87
Rot. Bonds5

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

N-(2,5-dimethylphenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide (PubChem CID 995141) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide
PubChem CID995141
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC NameN-(2,5-dimethylphenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide
SMILESCc1ccc(C)c(NC(=O)Cn2nc(-c3ccccc3)nc2-c2ccccc2)c1
InChIInChI=1S/C24H22N4O/c1-17-13-14-18(2)21(15-17)25-22(29)16-28-24(20-11-7-4-8-12-20)26-23(27-28)19-9-5-3-6-10-19/h3-15H,16H2,1-2H3,(H,25,29)
InChIKeyFMKNCMJYVMQASZ-UHFFFAOYSA-N
XLogP4.87
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.87
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-(4-bromophenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide
CID 1068920
N-(2,5-dimethylphenyl)-2-(5-oxo-2-phenyl-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
CID 135629878
methyl 2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetate
CID 43839948
2-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-(2,5-dimethylphenyl)acetamide
CID 126212920
2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide
CID 855851
N-(2,5-dimethylphenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide
CID 39922186
N-(2,5-dimethylphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 8759411
N-(2,5-dimethylphenyl)-2-(4-oxo-2-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide
CID 28528800
N-(2,5-dimethylphenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide
CID 7665571
N-(2,5-dimethylphenyl)-2-(1,1-dioxo-4-phenyl-1λ6,2,3-benzothiadiazin-2-yl)acetamide
CID 46354038
N-(2,5-dimethylphenyl)-2-[(5-phenyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 126101546

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide (CID 995141) is N-(2,5-dimethylphenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide is Cc1ccc(C)c(NC(=O)Cn2nc(-c3ccccc3)nc2-c2ccccc2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide?
The InChIKey is FMKNCMJYVMQASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-17-13-14-18(2)21(15-17)25-22(29)16-28-24(20-11-7-4-8-12-20)26-23(27-28)19-9-5-3-6-10-19/h3-15H,16H2,1-2H3,(H,25,29).
What are the key properties of N-(2,5-dimethylphenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide?
N-(2,5-dimethylphenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide has a molecular weight of 382.47 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 995141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).