N-(3,4-dimethylphenyl)-4-methylbenzamide

C16H17NO — CID 668813

IUPACN-(3,4-dimethylphenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C16H17NO/c1-11-4-7-14(8-5-11)16(18)17-15-9-6-12(2)13(3)10-15/h4-10H,1-3H3,(H,17,18)
InChIKeyLFWFLJUXQPSBME-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.86
Rot. Bonds2

About N-(3,4-dimethylphenyl)-4-methylbenzamide

N-(3,4-dimethylphenyl)-4-methylbenzamide (PubChem CID 668813) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-methylbenzamide
PubChem CID668813
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC NameN-(3,4-dimethylphenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C16H17NO/c1-11-4-7-14(8-5-11)16(18)17-15-9-6-12(2)13(3)10-15/h4-10H,1-3H3,(H,17,18)
InChIKeyLFWFLJUXQPSBME-UHFFFAOYSA-N
XLogP3.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-methylbenzamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-methylbenzamide (CID 668813) is N-(3,4-dimethylphenyl)-4-methylbenzamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-methylbenzamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-methylbenzamide?
The InChIKey is LFWFLJUXQPSBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-11-4-7-14(8-5-11)16(18)17-15-9-6-12(2)13(3)10-15/h4-10H,1-3H3,(H,17,18).
What are the key properties of N-(3,4-dimethylphenyl)-4-methylbenzamide?
N-(3,4-dimethylphenyl)-4-methylbenzamide has a molecular weight of 239.32 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-methylbenzamide is sourced from PubChem (CID 668813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).