2-(3,5-dimethylphenoxy)-N-(4-fluorophenyl)acetamide

C16H16FNO2 — CID 723379

IUPAC2-(3,5-dimethylphenoxy)-N-(4-fluorophenyl)acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C16H16FNO2/c1-11-7-12(2)9-15(8-11)20-10-16(19)18-14-5-3-13(17)4-6-14/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyYMIKGUPASLJUHZ-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.46
Rot. Bonds4

About 2-(3,5-dimethylphenoxy)-N-(4-fluorophenyl)acetamide

2-(3,5-dimethylphenoxy)-N-(4-fluorophenyl)acetamide (PubChem CID 723379) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-(4-fluorophenyl)acetamide
PubChem CID723379
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name2-(3,5-dimethylphenoxy)-N-(4-fluorophenyl)acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C16H16FNO2/c1-11-7-12(2)9-15(8-11)20-10-16(19)18-14-5-3-13(17)4-6-14/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyYMIKGUPASLJUHZ-UHFFFAOYSA-N
XLogP3.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-(4-fluorophenyl)acetamide (CID 723379) is 2-(3,5-dimethylphenoxy)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-(4-fluorophenyl)acetamide is Cc1cc(C)cc(OCC(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-(4-fluorophenyl)acetamide?
The InChIKey is YMIKGUPASLJUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-11-7-12(2)9-15(8-11)20-10-16(19)18-14-5-3-13(17)4-6-14/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-(4-fluorophenyl)acetamide?
2-(3,5-dimethylphenoxy)-N-(4-fluorophenyl)acetamide has a molecular weight of 273.31 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 723379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).