2,6-bis(4-methylphenyl)benzamide

C21H19NO — CID 11301076

IUPAC2,6-bis(4-methylphenyl)benzamide
SMILESCc1ccc(-c2cccc(-c3ccc(C)cc3)c2C(N)=O)cc1
InChIInChI=1S/C21H19NO/c1-14-6-10-16(11-7-14)18-4-3-5-19(20(18)21(22)23)17-12-8-15(2)9-13-17/h3-13H,1-2H3,(H2,22,23)
InChIKeyDOLXQXZLVJTJAX-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.74
Rot. Bonds3

About 2,6-bis(4-methylphenyl)benzamide

2,6-bis(4-methylphenyl)benzamide (PubChem CID 11301076) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is 2,6-bis(4-methylphenyl)benzamide.

Molecular Properties

Compound Name2,6-bis(4-methylphenyl)benzamide
PubChem CID11301076
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name2,6-bis(4-methylphenyl)benzamide
SMILESCc1ccc(-c2cccc(-c3ccc(C)cc3)c2C(N)=O)cc1
InChIInChI=1S/C21H19NO/c1-14-6-10-16(11-7-14)18-4-3-5-19(20(18)21(22)23)17-12-8-15(2)9-13-17/h3-13H,1-2H3,(H2,22,23)
InChIKeyDOLXQXZLVJTJAX-UHFFFAOYSA-N
XLogP4.74
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-methylphenyl)benzamide?
The IUPAC name of 2,6-bis(4-methylphenyl)benzamide (CID 11301076) is 2,6-bis(4-methylphenyl)benzamide.
What is the SMILES notation for 2,6-bis(4-methylphenyl)benzamide?
The canonical SMILES for 2,6-bis(4-methylphenyl)benzamide is Cc1ccc(-c2cccc(-c3ccc(C)cc3)c2C(N)=O)cc1.
What is the InChIKey of 2,6-bis(4-methylphenyl)benzamide?
The InChIKey is DOLXQXZLVJTJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO/c1-14-6-10-16(11-7-14)18-4-3-5-19(20(18)21(22)23)17-12-8-15(2)9-13-17/h3-13H,1-2H3,(H2,22,23).
What are the key properties of 2,6-bis(4-methylphenyl)benzamide?
2,6-bis(4-methylphenyl)benzamide has a molecular weight of 301.39 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-methylphenyl)benzamide is sourced from PubChem (CID 11301076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).