2-(4-fluorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide

C13H18FNO3 — CID 114243374

IUPAC2-(4-fluorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide
SMILESCN(CCOCCO)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H18FNO3/c1-15(6-8-18-9-7-16)13(17)10-11-2-4-12(14)5-3-11/h2-5,16H,6-10H2,1H3
InChIKeyJTSWUKBSLJZCSV-UHFFFAOYSA-N
MW255.29 g/mol
LogP0.84
Rot. Bonds7

About 2-(4-fluorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide

2-(4-fluorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide (PubChem CID 114243374) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide
PubChem CID114243374
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name2-(4-fluorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide
SMILESCN(CCOCCO)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H18FNO3/c1-15(6-8-18-9-7-16)13(17)10-11-2-4-12(14)5-3-11/h2-5,16H,6-10H2,1H3
InChIKeyJTSWUKBSLJZCSV-UHFFFAOYSA-N
XLogP0.84
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 50.84
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-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide
CID 114242938
1-(4-fluorophenyl)-3-[2-(2-hydroxyethoxy)ethyl-methylamino]propan-2-one
CID 114243242
methyl 2-[[2-(4-fluorophenyl)acetyl]-methylamino]acetate
CID 43407385
5-fluoro-2-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-N-methylbenzamide
CID 114242556
N-(2,2-dimethylpropyl)-2-(4-fluorophenyl)-N-methylacetamide
CID 110669323
1-[2-ethoxyethyl(methyl)amino]-3-(4-fluorophenyl)propan-2-one
CID 81058187
N-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-N-methylacetamide
CID 60681963
2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 94010767
tert-butyl N-[(4-fluorophenyl)methyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate
CID 18933288
N-(2-bromopropyl)-2-(4-fluorophenyl)-N-methylacetamide
CID 80665709
2-(4-ethoxyphenyl)-N-(2-hydroxyethyl)-N-methylacetamide
CID 60652463
N-[(4-aminophenyl)methyl]-2-(4-fluorophenyl)-N-methylacetamide
CID 43458116

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide (CID 114243374) is 2-(4-fluorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide is CN(CCOCCO)C(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide?
The InChIKey is JTSWUKBSLJZCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-15(6-8-18-9-7-16)13(17)10-11-2-4-12(14)5-3-11/h2-5,16H,6-10H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide?
2-(4-fluorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide has a molecular weight of 255.29 g/mol, XLogP of 0.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide is sourced from PubChem (CID 114243374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).