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

C20H24FNO3 — CID 26120183

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide
SMILESCCOc1ccc(CCNC(=O)Cc2cccc(F)c2)cc1OCC
InChIInChI=1S/C20H24FNO3/c1-3-24-18-9-8-15(13-19(18)25-4-2)10-11-22-20(23)14-16-6-5-7-17(21)12-16/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,22,23)
InChIKeyFFVQZCYDHRVYIT-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.52
Rot. Bonds9

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

N-[2-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide (PubChem CID 26120183) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide
PubChem CID26120183
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide
SMILESCCOc1ccc(CCNC(=O)Cc2cccc(F)c2)cc1OCC
InChIInChI=1S/C20H24FNO3/c1-3-24-18-9-8-15(13-19(18)25-4-2)10-11-22-20(23)14-16-6-5-7-17(21)12-16/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,22,23)
InChIKeyFFVQZCYDHRVYIT-UHFFFAOYSA-N
XLogP3.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-[2-(3-fluorophenyl)ethyl]-4-methoxybenzamide
CID 18118772
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(3-fluorophenyl)oxamide
CID 108529747
1-[2-(3,4-diethoxyphenyl)ethyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine
CID 111246125
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 3440656
2-(3,4-dichlorophenyl)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 9051916
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanylacetamide
CID 112763526
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide
CID 9437325
2-(3-chlorophenoxy)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide
CID 7818885
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 9473964
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
N-[2-(4-ethylphenoxy)ethyl]-2-(3-fluorophenyl)acetamide
CID 113100102

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide (CID 26120183) is N-[2-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide is CCOc1ccc(CCNC(=O)Cc2cccc(F)c2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is FFVQZCYDHRVYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO3/c1-3-24-18-9-8-15(13-19(18)25-4-2)10-11-22-20(23)14-16-6-5-7-17(21)12-16/h5-9,12-13H,3-4,10-11,14H2,1-2H3,(H,22,23).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 345.41 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 26120183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).