2,5-Dimethyl-4-phenylbenzamide

C15H15NO — CID 174491618

IUPAC2,5-dimethyl-4-phenylbenzamide
SMILESCC1=CC(=C(C=C1C(=O)N)C)C2=CC=CC=C2
InChIInChI=1S/C15H15NO/c1-10-9-14(15(16)17)11(2)8-13(10)12-6-4-3-5-7-12/h3-9H,1-2H3,(H2,16,17)
InChIKeyQMUPGGPUCITXAX-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.20
Rot. Bonds2

About 2,5-Dimethyl-4-phenylbenzamide

2,5-Dimethyl-4-phenylbenzamide (PubChem CID 174491618) has the molecular formula C15H15NO and a molecular weight of 225.28 g/mol. Its IUPAC name is 2,5-dimethyl-4-phenylbenzamide.

Molecular Properties

Compound Name2,5-Dimethyl-4-phenylbenzamide
PubChem CID174491618
Molecular FormulaC15H15NO
Molecular Weight225.28 g/mol
Exact Mass225.12
IUPAC Name2,5-dimethyl-4-phenylbenzamide
SMILESCC1=CC(=C(C=C1C(=O)N)C)C2=CC=CC=C2
InChIInChI=1S/C15H15NO/c1-10-9-14(15(16)17)11(2)8-13(10)12-6-4-3-5-7-12/h3-9H,1-2H3,(H2,16,17)
InChIKeyQMUPGGPUCITXAX-UHFFFAOYSA-N
XLogP3.20
TPSA43.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity270

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-Dimethyl-4-phenylbenzamide?
The IUPAC name of 2,5-Dimethyl-4-phenylbenzamide (CID 174491618) is 2,5-dimethyl-4-phenylbenzamide.
What is the SMILES notation for 2,5-Dimethyl-4-phenylbenzamide?
The canonical SMILES for 2,5-Dimethyl-4-phenylbenzamide is CC1=CC(=C(C=C1C(=O)N)C)C2=CC=CC=C2.
What is the InChIKey of 2,5-Dimethyl-4-phenylbenzamide?
The InChIKey is QMUPGGPUCITXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-10-9-14(15(16)17)11(2)8-13(10)12-6-4-3-5-7-12/h3-9H,1-2H3,(H2,16,17).
What are the key properties of 2,5-Dimethyl-4-phenylbenzamide?
2,5-Dimethyl-4-phenylbenzamide has a molecular weight of 225.28 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-Dimethyl-4-phenylbenzamide is sourced from PubChem (CID 174491618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).