2-cyclobutyl-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]benzamide

C20H20N4O — CID 167834882

IUPAC2-cyclobutyl-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]benzamide
SMILESO=C(NCc1ncnn1-c1ccccc1)c1ccccc1C1CCC1
InChIInChI=1S/C20H20N4O/c25-20(18-12-5-4-11-17(18)15-7-6-8-15)21-13-19-22-14-23-24(19)16-9-2-1-3-10-16/h1-5,9-12,14-15H,6-8,13H2,(H,21,25)
InChIKeyUTAUHNQNRNXUQN-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.46
Rot. Bonds5

About 2-cyclobutyl-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]benzamide

2-cyclobutyl-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]benzamide (PubChem CID 167834882) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-cyclobutyl-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-cyclobutyl-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]benzamide
PubChem CID167834882
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name2-cyclobutyl-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]benzamide
SMILESO=C(NCc1ncnn1-c1ccccc1)c1ccccc1C1CCC1
InChIInChI=1S/C20H20N4O/c25-20(18-12-5-4-11-17(18)15-7-6-8-15)21-13-19-22-14-23-24(19)16-9-2-1-3-10-16/h1-5,9-12,14-15H,6-8,13H2,(H,21,25)
InChIKeyUTAUHNQNRNXUQN-UHFFFAOYSA-N
XLogP3.46
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]benzamide?
The IUPAC name of 2-cyclobutyl-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]benzamide (CID 167834882) is 2-cyclobutyl-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]benzamide.
What is the SMILES notation for 2-cyclobutyl-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]benzamide?
The canonical SMILES for 2-cyclobutyl-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]benzamide is O=C(NCc1ncnn1-c1ccccc1)c1ccccc1C1CCC1.
What is the InChIKey of 2-cyclobutyl-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]benzamide?
The InChIKey is UTAUHNQNRNXUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c25-20(18-12-5-4-11-17(18)15-7-6-8-15)21-13-19-22-14-23-24(19)16-9-2-1-3-10-16/h1-5,9-12,14-15H,6-8,13H2,(H,21,25).
What are the key properties of 2-cyclobutyl-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]benzamide?
2-cyclobutyl-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]benzamide has a molecular weight of 332.41 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]benzamide is sourced from PubChem (CID 167834882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).