2-(4-amino-3-fluorophenoxy)-N,N-dimethylacetamide

C10H13FN2O2 — CID 50988941

IUPAC2-(4-amino-3-fluorophenoxy)-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1ccc(N)c(F)c1
InChIInChI=1S/C10H13FN2O2/c1-13(2)10(14)6-15-7-3-4-9(12)8(11)5-7/h3-5H,6,12H2,1-2H3
InChIKeyVNDZSXJKUDTTMP-UHFFFAOYSA-N
MW212.22 g/mol
LogP0.87
Rot. Bonds3

About 2-(4-amino-3-fluorophenoxy)-N,N-dimethylacetamide

2-(4-amino-3-fluorophenoxy)-N,N-dimethylacetamide (PubChem CID 50988941) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is 2-(4-amino-3-fluorophenoxy)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4-amino-3-fluorophenoxy)-N,N-dimethylacetamide
PubChem CID50988941
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Name2-(4-amino-3-fluorophenoxy)-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1ccc(N)c(F)c1
InChIInChI=1S/C10H13FN2O2/c1-13(2)10(14)6-15-7-3-4-9(12)8(11)5-7/h3-5H,6,12H2,1-2H3
InChIKeyVNDZSXJKUDTTMP-UHFFFAOYSA-N
XLogP0.87
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-amino-3-fluorophenoxy)-N,N-dimethylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-fluorophenoxy)-N,N-dimethylacetamide?
The IUPAC name of 2-(4-amino-3-fluorophenoxy)-N,N-dimethylacetamide (CID 50988941) is 2-(4-amino-3-fluorophenoxy)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4-amino-3-fluorophenoxy)-N,N-dimethylacetamide?
The canonical SMILES for 2-(4-amino-3-fluorophenoxy)-N,N-dimethylacetamide is CN(C)C(=O)COc1ccc(N)c(F)c1.
What is the InChIKey of 2-(4-amino-3-fluorophenoxy)-N,N-dimethylacetamide?
The InChIKey is VNDZSXJKUDTTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-13(2)10(14)6-15-7-3-4-9(12)8(11)5-7/h3-5H,6,12H2,1-2H3.
What are the key properties of 2-(4-amino-3-fluorophenoxy)-N,N-dimethylacetamide?
2-(4-amino-3-fluorophenoxy)-N,N-dimethylacetamide has a molecular weight of 212.22 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-fluorophenoxy)-N,N-dimethylacetamide is sourced from PubChem (CID 50988941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).