2-(4-fluoro-3-methylphenyl)-4,6-dimethylbenzamide

C16H16FNO — CID 14750091

IUPAC2-(4-fluoro-3-methylphenyl)-4,6-dimethylbenzamide
SMILESCc1cc(C)c(C(N)=O)c(-c2ccc(F)c(C)c2)c1
InChIInChI=1S/C16H16FNO/c1-9-6-11(3)15(16(18)19)13(7-9)12-4-5-14(17)10(2)8-12/h4-8H,1-3H3,(H2,18,19)
InChIKeyQRLVOFWNWLUFFC-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.52
Rot. Bonds2

About 2-(4-fluoro-3-methylphenyl)-4,6-dimethylbenzamide

2-(4-fluoro-3-methylphenyl)-4,6-dimethylbenzamide (PubChem CID 14750091) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylphenyl)-4,6-dimethylbenzamide.

Molecular Properties

Compound Name2-(4-fluoro-3-methylphenyl)-4,6-dimethylbenzamide
PubChem CID14750091
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name2-(4-fluoro-3-methylphenyl)-4,6-dimethylbenzamide
SMILESCc1cc(C)c(C(N)=O)c(-c2ccc(F)c(C)c2)c1
InChIInChI=1S/C16H16FNO/c1-9-6-11(3)15(16(18)19)13(7-9)12-4-5-14(17)10(2)8-12/h4-8H,1-3H3,(H2,18,19)
InChIKeyQRLVOFWNWLUFFC-UHFFFAOYSA-N
XLogP3.52
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4-fluoro-3-methylphenyl)-4,6-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylphenyl)-4,6-dimethylbenzamide?
The IUPAC name of 2-(4-fluoro-3-methylphenyl)-4,6-dimethylbenzamide (CID 14750091) is 2-(4-fluoro-3-methylphenyl)-4,6-dimethylbenzamide.
What is the SMILES notation for 2-(4-fluoro-3-methylphenyl)-4,6-dimethylbenzamide?
The canonical SMILES for 2-(4-fluoro-3-methylphenyl)-4,6-dimethylbenzamide is Cc1cc(C)c(C(N)=O)c(-c2ccc(F)c(C)c2)c1.
What is the InChIKey of 2-(4-fluoro-3-methylphenyl)-4,6-dimethylbenzamide?
The InChIKey is QRLVOFWNWLUFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-9-6-11(3)15(16(18)19)13(7-9)12-4-5-14(17)10(2)8-12/h4-8H,1-3H3,(H2,18,19).
What are the key properties of 2-(4-fluoro-3-methylphenyl)-4,6-dimethylbenzamide?
2-(4-fluoro-3-methylphenyl)-4,6-dimethylbenzamide has a molecular weight of 257.31 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methylphenyl)-4,6-dimethylbenzamide is sourced from PubChem (CID 14750091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).