N-[(2,4-difluorophenyl)methyl]-2-(2-methoxyethoxy)-N-methylacetamide

C13H17F2NO3 — CID 103610141

IUPACN-[(2,4-difluorophenyl)methyl]-2-(2-methoxyethoxy)-N-methylacetamide
SMILESCOCCOCC(=O)N(C)Cc1ccc(F)cc1F
InChIInChI=1S/C13H17F2NO3/c1-16(13(17)9-19-6-5-18-2)8-10-3-4-11(14)7-12(10)15/h3-4,7H,5-6,8-9H2,1-2H3
InChIKeyMDUUYJKXPJUCAP-UHFFFAOYSA-N
MW273.28 g/mol
LogP1.59
Rot. Bonds7

About N-[(2,4-difluorophenyl)methyl]-2-(2-methoxyethoxy)-N-methylacetamide

N-[(2,4-difluorophenyl)methyl]-2-(2-methoxyethoxy)-N-methylacetamide (PubChem CID 103610141) has the molecular formula C13H17F2NO3 and a molecular weight of 273.28 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-2-(2-methoxyethoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-2-(2-methoxyethoxy)-N-methylacetamide
PubChem CID103610141
Molecular FormulaC13H17F2NO3
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC NameN-[(2,4-difluorophenyl)methyl]-2-(2-methoxyethoxy)-N-methylacetamide
SMILESCOCCOCC(=O)N(C)Cc1ccc(F)cc1F
InChIInChI=1S/C13H17F2NO3/c1-16(13(17)9-19-6-5-18-2)8-10-3-4-11(14)7-12(10)15/h3-4,7H,5-6,8-9H2,1-2H3
InChIKeyMDUUYJKXPJUCAP-UHFFFAOYSA-N
XLogP1.59
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2,4-difluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 55049729
ethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate
CID 60725198
N-[(2,4-difluorophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 134046604
N-[(4-ethylphenyl)methyl]-2-(2-methoxyethoxy)-N-methylacetamide
CID 103601799
2-hydroxyethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate
CID 79345363
5-[(2,4-difluorophenyl)methyl-methylamino]-5-oxopentanoic acid
CID 54874892
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166392
2,4-difluoro-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene
CID 58214144
3-amino-N-[(2,4-difluorophenyl)methyl]-N-methylbutanamide;hydrochloride
CID 119703011
1-(2,4-difluorophenyl)-2-(2-methoxyethoxy)ethanone
CID 43798986
N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide
CID 60725238
2-[(2,4-difluorophenyl)methoxy]-N-methylacetohydrazide
CID 116845352

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-(2-methoxyethoxy)-N-methylacetamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-(2-methoxyethoxy)-N-methylacetamide (CID 103610141) is N-[(2,4-difluorophenyl)methyl]-2-(2-methoxyethoxy)-N-methylacetamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-2-(2-methoxyethoxy)-N-methylacetamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-2-(2-methoxyethoxy)-N-methylacetamide is COCCOCC(=O)N(C)Cc1ccc(F)cc1F.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-2-(2-methoxyethoxy)-N-methylacetamide?
The InChIKey is MDUUYJKXPJUCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3/c1-16(13(17)9-19-6-5-18-2)8-10-3-4-11(14)7-12(10)15/h3-4,7H,5-6,8-9H2,1-2H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-2-(2-methoxyethoxy)-N-methylacetamide?
N-[(2,4-difluorophenyl)methyl]-2-(2-methoxyethoxy)-N-methylacetamide has a molecular weight of 273.28 g/mol, XLogP of 1.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-2-(2-methoxyethoxy)-N-methylacetamide is sourced from PubChem (CID 103610141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).