2-(4-fluorophenyl)-N-[2-(4-methylphenoxy)ethyl]acetamide

C17H18FNO2 — CID 2216265

IUPAC2-(4-fluorophenyl)-N-[2-(4-methylphenoxy)ethyl]acetamide
SMILESCc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO2/c1-13-2-8-16(9-3-13)21-11-10-19-17(20)12-14-4-6-15(18)7-5-14/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyKPKMAMKZMQQWMX-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.87
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[2-(4-methylphenoxy)ethyl]acetamide

2-(4-fluorophenyl)-N-[2-(4-methylphenoxy)ethyl]acetamide (PubChem CID 2216265) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-(4-methylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-(4-methylphenoxy)ethyl]acetamide
PubChem CID2216265
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name2-(4-fluorophenyl)-N-[2-(4-methylphenoxy)ethyl]acetamide
SMILESCc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO2/c1-13-2-8-16(9-3-13)21-11-10-19-17(20)12-14-4-6-15(18)7-5-14/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyKPKMAMKZMQQWMX-UHFFFAOYSA-N
XLogP2.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-fluorophenyl)-N-[2-(4-methylphenoxy)ethyl]acetamide 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-fluorophenyl)-N-[2-(4-methylphenoxy)ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-(4-methylphenoxy)ethyl]acetamide (CID 2216265) is 2-(4-fluorophenyl)-N-[2-(4-methylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-(4-methylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-(4-methylphenoxy)ethyl]acetamide is Cc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-(4-methylphenoxy)ethyl]acetamide?
The InChIKey is KPKMAMKZMQQWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-13-2-8-16(9-3-13)21-11-10-19-17(20)12-14-4-6-15(18)7-5-14/h2-9H,10-12H2,1H3,(H,19,20).
What are the key properties of 2-(4-fluorophenyl)-N-[2-(4-methylphenoxy)ethyl]acetamide?
2-(4-fluorophenyl)-N-[2-(4-methylphenoxy)ethyl]acetamide has a molecular weight of 287.33 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-(4-methylphenoxy)ethyl]acetamide is sourced from PubChem (CID 2216265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).