2-[2,6-difluoro-4-[(2-methoxyethylamino)methyl]phenoxy]acetamide

C12H16F2N2O3 — CID 79891535

IUPAC2-[2,6-difluoro-4-[(2-methoxyethylamino)methyl]phenoxy]acetamide
SMILESCOCCNCc1cc(F)c(OCC(N)=O)c(F)c1
InChIInChI=1S/C12H16F2N2O3/c1-18-3-2-16-6-8-4-9(13)12(10(14)5-8)19-7-11(15)17/h4-5,16H,2-3,6-7H2,1H3,(H2,15,17)
InChIKeyOYWNQPJKMALGQS-UHFFFAOYSA-N
MW274.27 g/mol
LogP0.56
Rot. Bonds8

About 2-[2,6-difluoro-4-[(2-methoxyethylamino)methyl]phenoxy]acetamide

2-[2,6-difluoro-4-[(2-methoxyethylamino)methyl]phenoxy]acetamide (PubChem CID 79891535) has the molecular formula C12H16F2N2O3 and a molecular weight of 274.27 g/mol. Its IUPAC name is 2-[2,6-difluoro-4-[(2-methoxyethylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2,6-difluoro-4-[(2-methoxyethylamino)methyl]phenoxy]acetamide
PubChem CID79891535
Molecular FormulaC12H16F2N2O3
Molecular Weight274.27 g/mol
Exact Mass274.11
IUPAC Name2-[2,6-difluoro-4-[(2-methoxyethylamino)methyl]phenoxy]acetamide
SMILESCOCCNCc1cc(F)c(OCC(N)=O)c(F)c1
InChIInChI=1S/C12H16F2N2O3/c1-18-3-2-16-6-8-4-9(13)12(10(14)5-8)19-7-11(15)17/h4-5,16H,2-3,6-7H2,1H3,(H2,15,17)
InChIKeyOYWNQPJKMALGQS-UHFFFAOYSA-N
XLogP0.56
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2,6-difluoro-4-[(2-methoxyethylamino)methyl]phenoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2,6-difluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-3-methoxypropan-2-ol
CID 79884097
N-[(3,5-difluoro-4-pentoxyphenyl)methyl]-2-methoxyethanamine
CID 79891677
N-[[3,5-difluoro-4-(2-methylpentoxy)phenyl]methyl]-2-methoxyethanamine
CID 79884084
2-[2,6-difluoro-4-(propylaminomethyl)phenoxy]-N,N-dimethylacetamide
CID 79891359
methyl 3-[2,6-difluoro-4-(propylaminomethyl)phenoxy]propanoate
CID 79892021
2-[2,6-dibromo-4-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide
CID 107744887
2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-N-methylacetamide
CID 79891352
2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]acetamide
CID 106236435
2-[2-methoxy-4-[(3-methoxypropylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17209258
2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]acetamide
CID 43276717
2-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]butanamide
CID 107689312
N-butyl-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]acetamide
CID 79882497

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-difluoro-4-[(2-methoxyethylamino)methyl]phenoxy]acetamide?
The IUPAC name of 2-[2,6-difluoro-4-[(2-methoxyethylamino)methyl]phenoxy]acetamide (CID 79891535) is 2-[2,6-difluoro-4-[(2-methoxyethylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2,6-difluoro-4-[(2-methoxyethylamino)methyl]phenoxy]acetamide?
The canonical SMILES for 2-[2,6-difluoro-4-[(2-methoxyethylamino)methyl]phenoxy]acetamide is COCCNCc1cc(F)c(OCC(N)=O)c(F)c1.
What is the InChIKey of 2-[2,6-difluoro-4-[(2-methoxyethylamino)methyl]phenoxy]acetamide?
The InChIKey is OYWNQPJKMALGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O3/c1-18-3-2-16-6-8-4-9(13)12(10(14)5-8)19-7-11(15)17/h4-5,16H,2-3,6-7H2,1H3,(H2,15,17).
What are the key properties of 2-[2,6-difluoro-4-[(2-methoxyethylamino)methyl]phenoxy]acetamide?
2-[2,6-difluoro-4-[(2-methoxyethylamino)methyl]phenoxy]acetamide has a molecular weight of 274.27 g/mol, XLogP of 0.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-difluoro-4-[(2-methoxyethylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 79891535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).