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

C16H17NO — CID 576970

IUPACN-(3,4-dimethylphenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C16H17NO/c1-11-5-4-6-14(9-11)16(18)17-15-8-7-12(2)13(3)10-15/h4-10H,1-3H3,(H,17,18)
InChIKeyNLVDLHCAQOOWCC-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.86
Rot. Bonds2

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

N-(3,4-dimethylphenyl)-3-methylbenzamide (PubChem CID 576970) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-methylbenzamide
PubChem CID576970
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC NameN-(3,4-dimethylphenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C16H17NO/c1-11-5-4-6-14(9-11)16(18)17-15-8-7-12(2)13(3)10-15/h4-10H,1-3H3,(H,17,18)
InChIKeyNLVDLHCAQOOWCC-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)-3-methylbenzamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-methylbenzamide (CID 576970) is N-(3,4-dimethylphenyl)-3-methylbenzamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-methylbenzamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(C)c(C)c2)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-methylbenzamide?
The InChIKey is NLVDLHCAQOOWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-11-5-4-6-14(9-11)16(18)17-15-8-7-12(2)13(3)10-15/h4-10H,1-3H3,(H,17,18).
What are the key properties of N-(3,4-dimethylphenyl)-3-methylbenzamide?
N-(3,4-dimethylphenyl)-3-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)-3-methylbenzamide is sourced from PubChem (CID 576970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).