2-indazol-1-yl-N-(2,4,6-trimethylphenyl)acetamide

C18H19N3O — CID 20885360

IUPAC2-indazol-1-yl-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)Cn2ncc3ccccc32)c(C)c1
InChIInChI=1S/C18H19N3O/c1-12-8-13(2)18(14(3)9-12)20-17(22)11-21-16-7-5-4-6-15(16)10-19-21/h4-10H,11H2,1-3H3,(H,20,22)
InChIKeyKZNFQNKKJSJQKD-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.60
Rot. Bonds3

About 2-indazol-1-yl-N-(2,4,6-trimethylphenyl)acetamide

2-indazol-1-yl-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 20885360) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-indazol-1-yl-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-indazol-1-yl-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID20885360
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-indazol-1-yl-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)Cn2ncc3ccccc32)c(C)c1
InChIInChI=1S/C18H19N3O/c1-12-8-13(2)18(14(3)9-12)20-17(22)11-21-16-7-5-4-6-15(16)10-19-21/h4-10H,11H2,1-3H3,(H,20,22)
InChIKeyKZNFQNKKJSJQKD-UHFFFAOYSA-N
XLogP3.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-indazol-1-yl-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-indazol-1-yl-N-(2,4,6-trimethylphenyl)acetamide (CID 20885360) is 2-indazol-1-yl-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-indazol-1-yl-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-indazol-1-yl-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)Cn2ncc3ccccc32)c(C)c1.
What is the InChIKey of 2-indazol-1-yl-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is KZNFQNKKJSJQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-12-8-13(2)18(14(3)9-12)20-17(22)11-21-16-7-5-4-6-15(16)10-19-21/h4-10H,11H2,1-3H3,(H,20,22).
What are the key properties of 2-indazol-1-yl-N-(2,4,6-trimethylphenyl)acetamide?
2-indazol-1-yl-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 293.37 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-1-yl-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 20885360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).