N-[2-(2,2-dimethoxyethoxy)-5-fluorophenyl]acetamide

C12H16FNO4 — CID 18520564

IUPACN-[2-(2,2-dimethoxyethoxy)-5-fluorophenyl]acetamide
SMILESCOC(COc1ccc(F)cc1NC(C)=O)OC
InChIInChI=1S/C12H16FNO4/c1-8(15)14-10-6-9(13)4-5-11(10)18-7-12(16-2)17-3/h4-6,12H,7H2,1-3H3,(H,14,15)
InChIKeyVDBLYBRVOGCFPL-UHFFFAOYSA-N
MW257.26 g/mol
LogP1.78
Rot. Bonds6

About N-[2-(2,2-dimethoxyethoxy)-5-fluorophenyl]acetamide

N-[2-(2,2-dimethoxyethoxy)-5-fluorophenyl]acetamide (PubChem CID 18520564) has the molecular formula C12H16FNO4 and a molecular weight of 257.26 g/mol. Its IUPAC name is N-[2-(2,2-dimethoxyethoxy)-5-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[2-(2,2-dimethoxyethoxy)-5-fluorophenyl]acetamide
PubChem CID18520564
Molecular FormulaC12H16FNO4
Molecular Weight257.26 g/mol
Exact Mass257.11
IUPAC NameN-[2-(2,2-dimethoxyethoxy)-5-fluorophenyl]acetamide
SMILESCOC(COc1ccc(F)cc1NC(C)=O)OC
InChIInChI=1S/C12H16FNO4/c1-8(15)14-10-6-9(13)4-5-11(10)18-7-12(16-2)17-3/h4-6,12H,7H2,1-3H3,(H,14,15)
InChIKeyVDBLYBRVOGCFPL-UHFFFAOYSA-N
XLogP1.78
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2,2-dimethoxyethoxy)-2,6-dimethylphenyl]acetamide
CID 170638035
N-[2-[(5-fluoro-2-methoxyphenyl)methoxy]phenyl]acetamide
CID 9017920
3-acetamido-4-(2-methylpropoxy)benzenesulfonyl chloride
CID 98463977
N-(2-ethyl-5-fluorophenyl)acetamide
CID 143900433
4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide
CID 120561554
(2-ethoxy-5-fluorophenyl)thiourea
CID 169358343
4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride
CID 120561553
2-(2-acetamidophenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 2472167
methyl 3-(2-acetamidophenoxy)-2-methylpropanoate
CID 43537861
N-[4-fluoro-2-(3-hydroxypropoxy)phenyl]acetamide
CID 174413387
3-(2-chlorophenyl)-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]but-2-enamide
CID 72685113
N-(2-chloro-5-fluorophenyl)acetamide
CID 102458235

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethoxyethoxy)-5-fluorophenyl]acetamide?
The IUPAC name of N-[2-(2,2-dimethoxyethoxy)-5-fluorophenyl]acetamide (CID 18520564) is N-[2-(2,2-dimethoxyethoxy)-5-fluorophenyl]acetamide.
What is the SMILES notation for N-[2-(2,2-dimethoxyethoxy)-5-fluorophenyl]acetamide?
The canonical SMILES for N-[2-(2,2-dimethoxyethoxy)-5-fluorophenyl]acetamide is COC(COc1ccc(F)cc1NC(C)=O)OC.
What is the InChIKey of N-[2-(2,2-dimethoxyethoxy)-5-fluorophenyl]acetamide?
The InChIKey is VDBLYBRVOGCFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO4/c1-8(15)14-10-6-9(13)4-5-11(10)18-7-12(16-2)17-3/h4-6,12H,7H2,1-3H3,(H,14,15).
What are the key properties of N-[2-(2,2-dimethoxyethoxy)-5-fluorophenyl]acetamide?
N-[2-(2,2-dimethoxyethoxy)-5-fluorophenyl]acetamide has a molecular weight of 257.26 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethoxyethoxy)-5-fluorophenyl]acetamide is sourced from PubChem (CID 18520564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).