N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-(4-propan-2-ylphenoxy)acetamide

C20H24FNO3 — CID 90622980

IUPACN-[2-(3-fluorophenyl)-2-methoxyethyl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCOC(CNC(=O)COc1ccc(C(C)C)cc1)c1cccc(F)c1
InChIInChI=1S/C20H24FNO3/c1-14(2)15-7-9-18(10-8-15)25-13-20(23)22-12-19(24-3)16-5-4-6-17(21)11-16/h4-11,14,19H,12-13H2,1-3H3,(H,22,23)
InChIKeyMLQJOBJNIMHHHW-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.83
Rot. Bonds8

About N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-(4-propan-2-ylphenoxy)acetamide

N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 90622980) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-methoxyethyl]-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID90622980
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC NameN-[2-(3-fluorophenyl)-2-methoxyethyl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCOC(CNC(=O)COc1ccc(C(C)C)cc1)c1cccc(F)c1
InChIInChI=1S/C20H24FNO3/c1-14(2)15-7-9-18(10-8-15)25-13-20(23)22-12-19(24-3)16-5-4-6-17(21)11-16/h4-11,14,19H,12-13H2,1-3H3,(H,22,23)
InChIKeyMLQJOBJNIMHHHW-UHFFFAOYSA-N
XLogP3.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxyphenoxy)-N-[2-(3-fluorophenyl)-2-methoxyethyl]acetamide
CID 90622981
2-(4-fluorophenoxy)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]acetamide
CID 90623316
N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-methylpropanamide
CID 90622872
N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-phenylpropanamide
CID 90622906
2-(4-chlorophenoxy)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide
CID 43017004
2-(4-fluorophenoxy)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 110279770
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 121180159
N-[(2S)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 39835204
1-(3-fluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone
CID 43612544
N'-[2-(3-fluorophenyl)-2-methoxyethyl]-N-(2-methoxyethyl)oxamide
CID 90623137
1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-phenylurea
CID 90623219
2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide
CID 90622974

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-(4-propan-2-ylphenoxy)acetamide (CID 90622980) is N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-(4-propan-2-ylphenoxy)acetamide is COC(CNC(=O)COc1ccc(C(C)C)cc1)c1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is MLQJOBJNIMHHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO3/c1-14(2)15-7-9-18(10-8-15)25-13-20(23)22-12-19(24-3)16-5-4-6-17(21)11-16/h4-11,14,19H,12-13H2,1-3H3,(H,22,23).
What are the key properties of N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-(4-propan-2-ylphenoxy)acetamide?
N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 345.41 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 90622980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).