N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide

C18H20FNO3 — CID 78762371

IUPACN-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
SMILESCCOc1ccc(CN(C)C(=O)COc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNO3/c1-3-22-16-8-4-14(5-9-16)12-20(2)18(21)13-23-17-10-6-15(19)7-11-17/h4-11H,3,12-13H2,1-2H3
InChIKeySONXQRJVXZHQJC-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.26
Rot. Bonds7

About N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide

N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide (PubChem CID 78762371) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
PubChem CID78762371
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC NameN-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
SMILESCCOc1ccc(CN(C)C(=O)COc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNO3/c1-3-22-16-8-4-14(5-9-16)12-20(2)18(21)13-23-17-10-6-15(19)7-11-17/h4-11H,3,12-13H2,1-2H3
InChIKeySONXQRJVXZHQJC-UHFFFAOYSA-N
XLogP3.26
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 10085503
N-[(4-cyanophenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 39858491
4-ethoxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 78770402
2-(3-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 112778755
4-ethoxy-N-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 51162813
N-[(4-fluorophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604549
2-(4-fluorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 134037064
2-(2,6-dimethylphenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 112792570
2-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 31214668
2-(4-fluorophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 78784494
2-(4-cyanophenoxy)-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 7535470
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 18130949

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide (CID 78762371) is N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide is CCOc1ccc(CN(C)C(=O)COc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide?
The InChIKey is SONXQRJVXZHQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-3-22-16-8-4-14(5-9-16)12-20(2)18(21)13-23-17-10-6-15(19)7-11-17/h4-11H,3,12-13H2,1-2H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide?
N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide has a molecular weight of 317.36 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide is sourced from PubChem (CID 78762371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).