4-tert-butyl-N-[3-(tetrazol-1-yl)phenyl]benzamide

C18H19N5O — CID 7708843

IUPAC4-tert-butyl-N-[3-(tetrazol-1-yl)phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C18H19N5O/c1-18(2,3)14-9-7-13(8-10-14)17(24)20-15-5-4-6-16(11-15)23-12-19-21-22-23/h4-12H,1-3H3,(H,20,24)
InChIKeyFFXOETPOXOYRHY-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.21
Rot. Bonds3

About 4-tert-butyl-N-[3-(tetrazol-1-yl)phenyl]benzamide

4-tert-butyl-N-[3-(tetrazol-1-yl)phenyl]benzamide (PubChem CID 7708843) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-(tetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-(tetrazol-1-yl)phenyl]benzamide
PubChem CID7708843
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name4-tert-butyl-N-[3-(tetrazol-1-yl)phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C18H19N5O/c1-18(2,3)14-9-7-13(8-10-14)17(24)20-15-5-4-6-16(11-15)23-12-19-21-22-23/h4-12H,1-3H3,(H,20,24)
InChIKeyFFXOETPOXOYRHY-UHFFFAOYSA-N
XLogP3.21
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-(tetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-(tetrazol-1-yl)phenyl]benzamide (CID 7708843) is 4-tert-butyl-N-[3-(tetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-(tetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-(tetrazol-1-yl)phenyl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2cccc(-n3cnnn3)c2)cc1.
What is the InChIKey of 4-tert-butyl-N-[3-(tetrazol-1-yl)phenyl]benzamide?
The InChIKey is FFXOETPOXOYRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-18(2,3)14-9-7-13(8-10-14)17(24)20-15-5-4-6-16(11-15)23-12-19-21-22-23/h4-12H,1-3H3,(H,20,24).
What are the key properties of 4-tert-butyl-N-[3-(tetrazol-1-yl)phenyl]benzamide?
4-tert-butyl-N-[3-(tetrazol-1-yl)phenyl]benzamide has a molecular weight of 321.38 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-(tetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 7708843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).