2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]-N-prop-2-ynylacetamide

C13H14F2N2O2 — CID 79891340

IUPAC2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)COc1c(F)cc(CNC)cc1F
InChIInChI=1S/C13H14F2N2O2/c1-3-4-17-12(18)8-19-13-10(14)5-9(7-16-2)6-11(13)15/h1,5-6,16H,4,7-8H2,2H3,(H,17,18)
InChIKeyUJOHRZOPGREGLM-UHFFFAOYSA-N
MW268.26 g/mol
LogP0.81
Rot. Bonds6

About 2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]-N-prop-2-ynylacetamide

2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]-N-prop-2-ynylacetamide (PubChem CID 79891340) has the molecular formula C13H14F2N2O2 and a molecular weight of 268.26 g/mol. Its IUPAC name is 2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]-N-prop-2-ynylacetamide
PubChem CID79891340
Molecular FormulaC13H14F2N2O2
Molecular Weight268.26 g/mol
Exact Mass268.10
IUPAC Name2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)COc1c(F)cc(CNC)cc1F
InChIInChI=1S/C13H14F2N2O2/c1-3-4-17-12(18)8-19-13-10(14)5-9(7-16-2)6-11(13)15/h1,5-6,16H,4,7-8H2,2H3,(H,17,18)
InChIKeyUJOHRZOPGREGLM-UHFFFAOYSA-N
XLogP0.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]-N-prop-2-ynylacetamide 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

N-(cyanomethyl)-2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]acetamide
CID 79891256
2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-N-methylacetamide
CID 79891352
2-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-prop-2-ynylacetamide
CID 54931313
2-[2-methyl-6-(methylaminomethyl)phenoxy]-N-prop-2-ynylacetamide
CID 112608234
2-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-N-prop-2-ynylacetamide
CID 107688451
N-prop-2-ynyl-2-(2,4,6-trichlorophenoxy)acetamide
CID 79502063
2-[2,6-dibromo-4-(hydroxymethyl)phenoxy]-N-prop-2-ynylacetamide
CID 107738952
N-butyl-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]acetamide
CID 79882497
2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-ethylacetamide
CID 79887348
N-(cyclopropylmethyl)-2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]acetamide
CID 79882213
2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-methylacetamide
CID 79886402
2-(4-bromo-3-fluorophenoxy)-N-prop-2-ynylacetamide
CID 65202721

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]-N-prop-2-ynylacetamide?
The IUPAC name of 2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]-N-prop-2-ynylacetamide (CID 79891340) is 2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]-N-prop-2-ynylacetamide is C#CCNC(=O)COc1c(F)cc(CNC)cc1F.
What is the InChIKey of 2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]-N-prop-2-ynylacetamide?
The InChIKey is UJOHRZOPGREGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2/c1-3-4-17-12(18)8-19-13-10(14)5-9(7-16-2)6-11(13)15/h1,5-6,16H,4,7-8H2,2H3,(H,17,18).
What are the key properties of 2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]-N-prop-2-ynylacetamide?
2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]-N-prop-2-ynylacetamide has a molecular weight of 268.26 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-difluoro-4-(methylaminomethyl)phenoxy]-N-prop-2-ynylacetamide is sourced from PubChem (CID 79891340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).