N-(5-fluoro-2-methylphenyl)-3-phenoxypropanamide

C16H16FNO2 — CID 2527795

IUPACN-(5-fluoro-2-methylphenyl)-3-phenoxypropanamide
SMILESCc1ccc(F)cc1NC(=O)CCOc1ccccc1
InChIInChI=1S/C16H16FNO2/c1-12-7-8-13(17)11-15(12)18-16(19)9-10-20-14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3,(H,18,19)
InChIKeyOKJPWCATTAGACS-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.54
Rot. Bonds5

About N-(5-fluoro-2-methylphenyl)-3-phenoxypropanamide

N-(5-fluoro-2-methylphenyl)-3-phenoxypropanamide (PubChem CID 2527795) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-3-phenoxypropanamide
PubChem CID2527795
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC NameN-(5-fluoro-2-methylphenyl)-3-phenoxypropanamide
SMILESCc1ccc(F)cc1NC(=O)CCOc1ccccc1
InChIInChI=1S/C16H16FNO2/c1-12-7-8-13(17)11-15(12)18-16(19)9-10-20-14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3,(H,18,19)
InChIKeyOKJPWCATTAGACS-UHFFFAOYSA-N
XLogP3.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-3-phenoxypropanamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-3-phenoxypropanamide (CID 2527795) is N-(5-fluoro-2-methylphenyl)-3-phenoxypropanamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-3-phenoxypropanamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-3-phenoxypropanamide is Cc1ccc(F)cc1NC(=O)CCOc1ccccc1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-3-phenoxypropanamide?
The InChIKey is OKJPWCATTAGACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-12-7-8-13(17)11-15(12)18-16(19)9-10-20-14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3,(H,18,19).
What are the key properties of N-(5-fluoro-2-methylphenyl)-3-phenoxypropanamide?
N-(5-fluoro-2-methylphenyl)-3-phenoxypropanamide has a molecular weight of 273.31 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-3-phenoxypropanamide is sourced from PubChem (CID 2527795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).