N-[2-(4-ethylphenoxy)ethyl]-2-(3-fluorophenyl)acetamide

C18H20FNO2 — CID 113100102

IUPACN-[2-(4-ethylphenoxy)ethyl]-2-(3-fluorophenyl)acetamide
SMILESCCc1ccc(OCCNC(=O)Cc2cccc(F)c2)cc1
InChIInChI=1S/C18H20FNO2/c1-2-14-6-8-17(9-7-14)22-11-10-20-18(21)13-15-4-3-5-16(19)12-15/h3-9,12H,2,10-11,13H2,1H3,(H,20,21)
InChIKeyHULPSQLEXRXOFZ-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.13
Rot. Bonds7

About N-[2-(4-ethylphenoxy)ethyl]-2-(3-fluorophenyl)acetamide

N-[2-(4-ethylphenoxy)ethyl]-2-(3-fluorophenyl)acetamide (PubChem CID 113100102) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is N-[2-(4-ethylphenoxy)ethyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-ethylphenoxy)ethyl]-2-(3-fluorophenyl)acetamide
PubChem CID113100102
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC NameN-[2-(4-ethylphenoxy)ethyl]-2-(3-fluorophenyl)acetamide
SMILESCCc1ccc(OCCNC(=O)Cc2cccc(F)c2)cc1
InChIInChI=1S/C18H20FNO2/c1-2-14-6-8-17(9-7-14)22-11-10-20-18(21)13-15-4-3-5-16(19)12-15/h3-9,12H,2,10-11,13H2,1H3,(H,20,21)
InChIKeyHULPSQLEXRXOFZ-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-fluorophenoxy)ethyl]-2-phenylacetamide
CID 110483020
2-(3-fluorophenyl)-N-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]acetamide
CID 46489994
2-[[2-(3-fluorophenyl)acetyl]amino]ethyl acetate
CID 151755820
N-[2-(2-fluorophenoxy)ethyl]-2-(3-fluorophenyl)acetamide
CID 4963716
N-[2-(4-ethoxyphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 30350207
[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8642931
N-[2-(3-ethylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113100017
N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-(3-fluorophenyl)acetamide
CID 113101954
N-[2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113056526
N-[2-(4-aminophenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 62388330
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide
CID 26120183
N-[2-(3-bromophenoxy)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 55920744

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenoxy)ethyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[2-(4-ethylphenoxy)ethyl]-2-(3-fluorophenyl)acetamide (CID 113100102) is N-[2-(4-ethylphenoxy)ethyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(4-ethylphenoxy)ethyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(4-ethylphenoxy)ethyl]-2-(3-fluorophenyl)acetamide is CCc1ccc(OCCNC(=O)Cc2cccc(F)c2)cc1.
What is the InChIKey of N-[2-(4-ethylphenoxy)ethyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is HULPSQLEXRXOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-2-14-6-8-17(9-7-14)22-11-10-20-18(21)13-15-4-3-5-16(19)12-15/h3-9,12H,2,10-11,13H2,1H3,(H,20,21).
What are the key properties of N-[2-(4-ethylphenoxy)ethyl]-2-(3-fluorophenyl)acetamide?
N-[2-(4-ethylphenoxy)ethyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 301.36 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenoxy)ethyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 113100102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).