N-(3,4-dimethylphenyl)-4-pyridin-2-ylbenzamide

C20H18N2O — CID 11426618

IUPACN-(3,4-dimethylphenyl)-4-pyridin-2-ylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(-c3ccccn3)cc2)cc1C
InChIInChI=1S/C20H18N2O/c1-14-6-11-18(13-15(14)2)22-20(23)17-9-7-16(8-10-17)19-5-3-4-12-21-19/h3-13H,1-2H3,(H,22,23)
InChIKeyISIYSJUIEZNPHT-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.62
Rot. Bonds3

About N-(3,4-dimethylphenyl)-4-pyridin-2-ylbenzamide

N-(3,4-dimethylphenyl)-4-pyridin-2-ylbenzamide (PubChem CID 11426618) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-pyridin-2-ylbenzamide
PubChem CID11426618
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC NameN-(3,4-dimethylphenyl)-4-pyridin-2-ylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(-c3ccccn3)cc2)cc1C
InChIInChI=1S/C20H18N2O/c1-14-6-11-18(13-15(14)2)22-20(23)17-9-7-16(8-10-17)19-5-3-4-12-21-19/h3-13H,1-2H3,(H,22,23)
InChIKeyISIYSJUIEZNPHT-UHFFFAOYSA-N
XLogP4.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-pyridin-2-ylbenzamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-pyridin-2-ylbenzamide (CID 11426618) is N-(3,4-dimethylphenyl)-4-pyridin-2-ylbenzamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-pyridin-2-ylbenzamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-pyridin-2-ylbenzamide is Cc1ccc(NC(=O)c2ccc(-c3ccccn3)cc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-pyridin-2-ylbenzamide?
The InChIKey is ISIYSJUIEZNPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-14-6-11-18(13-15(14)2)22-20(23)17-9-7-16(8-10-17)19-5-3-4-12-21-19/h3-13H,1-2H3,(H,22,23).
What are the key properties of N-(3,4-dimethylphenyl)-4-pyridin-2-ylbenzamide?
N-(3,4-dimethylphenyl)-4-pyridin-2-ylbenzamide has a molecular weight of 302.38 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-pyridin-2-ylbenzamide is sourced from PubChem (CID 11426618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).