2-(4-butoxyphenoxy)-N-(4-fluorophenyl)acetamide

C18H20FNO3 — CID 4732741

IUPAC2-(4-butoxyphenoxy)-N-(4-fluorophenyl)acetamide
SMILESCCCCOc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNO3/c1-2-3-12-22-16-8-10-17(11-9-16)23-13-18(21)20-15-6-4-14(19)5-7-15/h4-11H,2-3,12-13H2,1H3,(H,20,21)
InChIKeyNWZRSWLYMDCECL-UHFFFAOYSA-N
MW317.36 g/mol
LogP4.02
Rot. Bonds8

About 2-(4-butoxyphenoxy)-N-(4-fluorophenyl)acetamide

2-(4-butoxyphenoxy)-N-(4-fluorophenyl)acetamide (PubChem CID 4732741) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-(4-butoxyphenoxy)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-butoxyphenoxy)-N-(4-fluorophenyl)acetamide
PubChem CID4732741
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name2-(4-butoxyphenoxy)-N-(4-fluorophenyl)acetamide
SMILESCCCCOc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNO3/c1-2-3-12-22-16-8-10-17(11-9-16)23-13-18(21)20-15-6-4-14(19)5-7-15/h4-11H,2-3,12-13H2,1H3,(H,20,21)
InChIKeyNWZRSWLYMDCECL-UHFFFAOYSA-N
XLogP4.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-butoxyphenoxy)-N-(4-fluorophenyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-(2-ethoxyethoxy)phenoxy]-N-(4-fluorophenyl)acetamide
CID 4732952
2-(4-butoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 4732728
N-(4-ethylphenyl)-2-(4-fluorophenoxy)acetamide
CID 893586
2-[4-(2-ethylhexoxy)phenoxy]-N-(4-fluorophenyl)acetamide
CID 18823969
2-(4-fluorophenoxy)-N-(4-hydroxyphenyl)acetamide
CID 9323790
N-(4-fluorophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17093193
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 918574
N-(4-ethoxyphenyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]benzamide
CID 26218143
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-butoxyphenyl)acetamide
CID 9319776
N-(4-methoxyphenyl)-2-(4-propoxyphenoxy)acetamide
CID 4732668
2-(4-methylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4943007
N-(4-butoxyphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178102

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyphenoxy)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(4-butoxyphenoxy)-N-(4-fluorophenyl)acetamide (CID 4732741) is 2-(4-butoxyphenoxy)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4-butoxyphenoxy)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(4-butoxyphenoxy)-N-(4-fluorophenyl)acetamide is CCCCOc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-butoxyphenoxy)-N-(4-fluorophenyl)acetamide?
The InChIKey is NWZRSWLYMDCECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-2-3-12-22-16-8-10-17(11-9-16)23-13-18(21)20-15-6-4-14(19)5-7-15/h4-11H,2-3,12-13H2,1H3,(H,20,21).
What are the key properties of 2-(4-butoxyphenoxy)-N-(4-fluorophenyl)acetamide?
2-(4-butoxyphenoxy)-N-(4-fluorophenyl)acetamide has a molecular weight of 317.36 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenoxy)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 4732741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).