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

C23H20N4O — CID 1207040

IUPAC2-(3,5-diphenyl-1,2,4-triazol-1-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cn1nc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H20N4O/c1-17-10-8-9-15-20(17)24-21(28)16-27-23(19-13-6-3-7-14-19)25-22(26-27)18-11-4-2-5-12-18/h2-15H,16H2,1H3,(H,24,28)
InChIKeySYSHSXRZJZWXNR-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.56
Rot. Bonds5

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

2-(3,5-diphenyl-1,2,4-triazol-1-yl)-N-(2-methylphenyl)acetamide (PubChem CID 1207040) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-(3,5-diphenyl-1,2,4-triazol-1-yl)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,5-diphenyl-1,2,4-triazol-1-yl)-N-(2-methylphenyl)acetamide
PubChem CID1207040
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name2-(3,5-diphenyl-1,2,4-triazol-1-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cn1nc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H20N4O/c1-17-10-8-9-15-20(17)24-21(28)16-27-23(19-13-6-3-7-14-19)25-22(26-27)18-11-4-2-5-12-18/h2-15H,16H2,1H3,(H,24,28)
InChIKeySYSHSXRZJZWXNR-UHFFFAOYSA-N
XLogP4.56
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diphenyl-1,2,4-triazol-1-yl)-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(3,5-diphenyl-1,2,4-triazol-1-yl)-N-(2-methylphenyl)acetamide (CID 1207040) is 2-(3,5-diphenyl-1,2,4-triazol-1-yl)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(3,5-diphenyl-1,2,4-triazol-1-yl)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(3,5-diphenyl-1,2,4-triazol-1-yl)-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)Cn1nc(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 2-(3,5-diphenyl-1,2,4-triazol-1-yl)-N-(2-methylphenyl)acetamide?
The InChIKey is SYSHSXRZJZWXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-17-10-8-9-15-20(17)24-21(28)16-27-23(19-13-6-3-7-14-19)25-22(26-27)18-11-4-2-5-12-18/h2-15H,16H2,1H3,(H,24,28).
What are the key properties of 2-(3,5-diphenyl-1,2,4-triazol-1-yl)-N-(2-methylphenyl)acetamide?
2-(3,5-diphenyl-1,2,4-triazol-1-yl)-N-(2-methylphenyl)acetamide has a molecular weight of 368.44 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diphenyl-1,2,4-triazol-1-yl)-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 1207040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).