2-(4-amino-2-fluorophenoxy)-N-methylacetamide

C9H11FN2O2 — CID 43259321

IUPAC2-(4-amino-2-fluorophenoxy)-N-methylacetamide
SMILESCNC(=O)COc1ccc(N)cc1F
InChIInChI=1S/C9H11FN2O2/c1-12-9(13)5-14-8-3-2-6(11)4-7(8)10/h2-4H,5,11H2,1H3,(H,12,13)
InChIKeyHJBQYWMMVZHRQK-UHFFFAOYSA-N
MW198.20 g/mol
LogP0.53
Rot. Bonds3

About 2-(4-amino-2-fluorophenoxy)-N-methylacetamide

2-(4-amino-2-fluorophenoxy)-N-methylacetamide (PubChem CID 43259321) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is 2-(4-amino-2-fluorophenoxy)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-amino-2-fluorophenoxy)-N-methylacetamide
PubChem CID43259321
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name2-(4-amino-2-fluorophenoxy)-N-methylacetamide
SMILESCNC(=O)COc1ccc(N)cc1F
InChIInChI=1S/C9H11FN2O2/c1-12-9(13)5-14-8-3-2-6(11)4-7(8)10/h2-4H,5,11H2,1H3,(H,12,13)
InChIKeyHJBQYWMMVZHRQK-UHFFFAOYSA-N
XLogP0.53
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-fluorophenoxy)-N-methylacetamide?
The IUPAC name of 2-(4-amino-2-fluorophenoxy)-N-methylacetamide (CID 43259321) is 2-(4-amino-2-fluorophenoxy)-N-methylacetamide.
What is the SMILES notation for 2-(4-amino-2-fluorophenoxy)-N-methylacetamide?
The canonical SMILES for 2-(4-amino-2-fluorophenoxy)-N-methylacetamide is CNC(=O)COc1ccc(N)cc1F.
What is the InChIKey of 2-(4-amino-2-fluorophenoxy)-N-methylacetamide?
The InChIKey is HJBQYWMMVZHRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2/c1-12-9(13)5-14-8-3-2-6(11)4-7(8)10/h2-4H,5,11H2,1H3,(H,12,13).
What are the key properties of 2-(4-amino-2-fluorophenoxy)-N-methylacetamide?
2-(4-amino-2-fluorophenoxy)-N-methylacetamide has a molecular weight of 198.20 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-fluorophenoxy)-N-methylacetamide is sourced from PubChem (CID 43259321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).