N-(4-tert-butylphenyl)-4-pyridin-2-ylbenzamide

C22H22N2O — CID 11472986

IUPACN-(4-tert-butylphenyl)-4-pyridin-2-ylbenzamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(-c3ccccn3)cc2)cc1
InChIInChI=1S/C22H22N2O/c1-22(2,3)18-11-13-19(14-12-18)24-21(25)17-9-7-16(8-10-17)20-6-4-5-15-23-20/h4-15H,1-3H3,(H,24,25)
InChIKeyJWPYMHAYISNKIC-UHFFFAOYSA-N
MW330.43 g/mol
LogP5.30
Rot. Bonds3

About N-(4-tert-butylphenyl)-4-pyridin-2-ylbenzamide

N-(4-tert-butylphenyl)-4-pyridin-2-ylbenzamide (PubChem CID 11472986) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-pyridin-2-ylbenzamide
PubChem CID11472986
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC NameN-(4-tert-butylphenyl)-4-pyridin-2-ylbenzamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(-c3ccccn3)cc2)cc1
InChIInChI=1S/C22H22N2O/c1-22(2,3)18-11-13-19(14-12-18)24-21(25)17-9-7-16(8-10-17)20-6-4-5-15-23-20/h4-15H,1-3H3,(H,24,25)
InChIKeyJWPYMHAYISNKIC-UHFFFAOYSA-N
XLogP5.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-pyridin-2-ylbenzamide?
The IUPAC name of N-(4-tert-butylphenyl)-4-pyridin-2-ylbenzamide (CID 11472986) is N-(4-tert-butylphenyl)-4-pyridin-2-ylbenzamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-pyridin-2-ylbenzamide?
The canonical SMILES for N-(4-tert-butylphenyl)-4-pyridin-2-ylbenzamide is CC(C)(C)c1ccc(NC(=O)c2ccc(-c3ccccn3)cc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-pyridin-2-ylbenzamide?
The InChIKey is JWPYMHAYISNKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-22(2,3)18-11-13-19(14-12-18)24-21(25)17-9-7-16(8-10-17)20-6-4-5-15-23-20/h4-15H,1-3H3,(H,24,25).
What are the key properties of N-(4-tert-butylphenyl)-4-pyridin-2-ylbenzamide?
N-(4-tert-butylphenyl)-4-pyridin-2-ylbenzamide has a molecular weight of 330.43 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-pyridin-2-ylbenzamide is sourced from PubChem (CID 11472986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).