2-(4-fluoro-3-methylphenoxy)-N-(2-methoxyethyl)acetamide

C12H16FNO3 — CID 81421514

IUPAC2-(4-fluoro-3-methylphenoxy)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1ccc(F)c(C)c1
InChIInChI=1S/C12H16FNO3/c1-9-7-10(3-4-11(9)13)17-8-12(15)14-5-6-16-2/h3-4,7H,5-6,8H2,1-2H3,(H,14,15)
InChIKeyWNZHMDSLDKYDON-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.28
Rot. Bonds6

About 2-(4-fluoro-3-methylphenoxy)-N-(2-methoxyethyl)acetamide

2-(4-fluoro-3-methylphenoxy)-N-(2-methoxyethyl)acetamide (PubChem CID 81421514) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylphenoxy)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(4-fluoro-3-methylphenoxy)-N-(2-methoxyethyl)acetamide
PubChem CID81421514
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name2-(4-fluoro-3-methylphenoxy)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1ccc(F)c(C)c1
InChIInChI=1S/C12H16FNO3/c1-9-7-10(3-4-11(9)13)17-8-12(15)14-5-6-16-2/h3-4,7H,5-6,8H2,1-2H3,(H,14,15)
InChIKeyWNZHMDSLDKYDON-UHFFFAOYSA-N
XLogP1.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-hydroxyphenoxy)-N-(2-methoxyethyl)acetamide
CID 61485470
N-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(4-chlorophenoxy)acetamide
CID 113102711
ethane;1-fluoro-4-(2-methoxyethoxy)-2-methylbenzene
CID 145070405
2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 2276597
4-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylbenzamide
CID 112689546
2-(3-butoxyphenoxy)-N-(2-methoxyethyl)acetamide
CID 4733178
2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]acetamide
CID 108572637
4-[2-(2-methoxyethylamino)-2-oxoethoxy]-2,6-dimethylbenzenesulfonyl chloride
CID 82911967
methyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate
CID 108572647
2-(3,4-dimethylphenoxy)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide
CID 19174002
2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233359
N-(2-methoxyethyl)-2-[(2-naphthalen-2-yloxyacetyl)amino]acetamide
CID 24517119

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylphenoxy)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(4-fluoro-3-methylphenoxy)-N-(2-methoxyethyl)acetamide (CID 81421514) is 2-(4-fluoro-3-methylphenoxy)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(4-fluoro-3-methylphenoxy)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(4-fluoro-3-methylphenoxy)-N-(2-methoxyethyl)acetamide is COCCNC(=O)COc1ccc(F)c(C)c1.
What is the InChIKey of 2-(4-fluoro-3-methylphenoxy)-N-(2-methoxyethyl)acetamide?
The InChIKey is WNZHMDSLDKYDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-9-7-10(3-4-11(9)13)17-8-12(15)14-5-6-16-2/h3-4,7H,5-6,8H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-fluoro-3-methylphenoxy)-N-(2-methoxyethyl)acetamide?
2-(4-fluoro-3-methylphenoxy)-N-(2-methoxyethyl)acetamide has a molecular weight of 241.26 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methylphenoxy)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 81421514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).