N-[(4-ethoxyphenyl)methyl]-2-(3-fluorophenoxy)acetamide

C17H18FNO3 — CID 110780897

IUPACN-[(4-ethoxyphenyl)methyl]-2-(3-fluorophenoxy)acetamide
SMILESCCOc1ccc(CNC(=O)COc2cccc(F)c2)cc1
InChIInChI=1S/C17H18FNO3/c1-2-21-15-8-6-13(7-9-15)11-19-17(20)12-22-16-5-3-4-14(18)10-16/h3-10H,2,11-12H2,1H3,(H,19,20)
InChIKeyPQGKWMRPYIGZRL-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.92
Rot. Bonds7

About N-[(4-ethoxyphenyl)methyl]-2-(3-fluorophenoxy)acetamide

N-[(4-ethoxyphenyl)methyl]-2-(3-fluorophenoxy)acetamide (PubChem CID 110780897) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-2-(3-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-2-(3-fluorophenoxy)acetamide
PubChem CID110780897
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC NameN-[(4-ethoxyphenyl)methyl]-2-(3-fluorophenoxy)acetamide
SMILESCCOc1ccc(CNC(=O)COc2cccc(F)c2)cc1
InChIInChI=1S/C17H18FNO3/c1-2-21-15-8-6-13(7-9-15)11-19-17(20)12-22-16-5-3-4-14(18)10-16/h3-10H,2,11-12H2,1H3,(H,19,20)
InChIKeyPQGKWMRPYIGZRL-UHFFFAOYSA-N
XLogP2.92
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)acetamide
CID 53288657
2-(3-ethoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 112977714
N-[(4-ethylsulfanylphenyl)methyl]-2-(3-fluorophenoxy)acetamide
CID 110784568
N-benzyl-2-(3-ethoxyphenoxy)acetamide
CID 112977703
methyl N-[4-[[[2-(3-fluorophenoxy)acetyl]amino]methyl]phenyl]carbamate
CID 60513687
2-(3-ethoxyphenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 112977719
2-(3-fluorophenoxy)-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]acetamide
CID 110730575
N-[(3-ethoxyphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 30384331
N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]-3-fluorobenzamide
CID 108542788
2-(4-ethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495684
2-(3-fluorophenoxy)-N-pentylacetamide
CID 110756252
N-[(3-fluorophenyl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 46590053

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-(3-fluorophenoxy)acetamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-(3-fluorophenoxy)acetamide (CID 110780897) is N-[(4-ethoxyphenyl)methyl]-2-(3-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-2-(3-fluorophenoxy)acetamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-2-(3-fluorophenoxy)acetamide is CCOc1ccc(CNC(=O)COc2cccc(F)c2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-2-(3-fluorophenoxy)acetamide?
The InChIKey is PQGKWMRPYIGZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3/c1-2-21-15-8-6-13(7-9-15)11-19-17(20)12-22-16-5-3-4-14(18)10-16/h3-10H,2,11-12H2,1H3,(H,19,20).
What are the key properties of N-[(4-ethoxyphenyl)methyl]-2-(3-fluorophenoxy)acetamide?
N-[(4-ethoxyphenyl)methyl]-2-(3-fluorophenoxy)acetamide has a molecular weight of 303.33 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-2-(3-fluorophenoxy)acetamide is sourced from PubChem (CID 110780897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).