2-(4-amino-2-fluorophenoxy)propanamide

C9H11FN2O2 — CID 43259260

IUPAC2-(4-amino-2-fluorophenoxy)propanamide
SMILESCC(Oc1ccc(N)cc1F)C(N)=O
InChIInChI=1S/C9H11FN2O2/c1-5(9(12)13)14-8-3-2-6(11)4-7(8)10/h2-5H,11H2,1H3,(H2,12,13)
InChIKeyPFZYBNKGCSDBTP-UHFFFAOYSA-N
MW198.20 g/mol
LogP0.66
Rot. Bonds3

About 2-(4-amino-2-fluorophenoxy)propanamide

2-(4-amino-2-fluorophenoxy)propanamide (PubChem CID 43259260) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is 2-(4-amino-2-fluorophenoxy)propanamide.

Molecular Properties

Compound Name2-(4-amino-2-fluorophenoxy)propanamide
PubChem CID43259260
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name2-(4-amino-2-fluorophenoxy)propanamide
SMILESCC(Oc1ccc(N)cc1F)C(N)=O
InChIInChI=1S/C9H11FN2O2/c1-5(9(12)13)14-8-3-2-6(11)4-7(8)10/h2-5H,11H2,1H3,(H2,12,13)
InChIKeyPFZYBNKGCSDBTP-UHFFFAOYSA-N
XLogP0.66
TPSA78.34 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 ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(4-bromo-2-fluorophenoxy)propanamide
CID 2522971
2-[4-(2-aminoethyl)-2-fluorophenoxy]propanamide
CID 107692552
2-[4-(aminomethyl)-2-fluorophenoxy]propanamide
CID 107665477
methyl 2-[4-(4-amino-2-fluorophenoxy)-2-fluorophenoxy]propanoate
CID 14855595
2-(2-fluoro-4-nitrophenoxy)propanamide
CID 61034848
2-(2,5-difluorophenoxy)propanamide
CID 63269491
2-(2-amino-4-bromo-5-fluorophenoxy)propanamide
CID 103483009
methyl 2-(2,4-difluorophenoxy)propanoate
CID 4507460
methyl (2R)-2-(2,4-difluorophenoxy)propanoate
CID 40645997
2-(5-bromo-2-fluorophenoxy)propanamide
CID 115918546
2-(4-amino-2-fluorophenyl)sulfanylpropanamide
CID 43303751
2-(2,3-difluorophenoxy)propanamide
CID 63038540

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-fluorophenoxy)propanamide?
The IUPAC name of 2-(4-amino-2-fluorophenoxy)propanamide (CID 43259260) is 2-(4-amino-2-fluorophenoxy)propanamide.
What is the SMILES notation for 2-(4-amino-2-fluorophenoxy)propanamide?
The canonical SMILES for 2-(4-amino-2-fluorophenoxy)propanamide is CC(Oc1ccc(N)cc1F)C(N)=O.
What is the InChIKey of 2-(4-amino-2-fluorophenoxy)propanamide?
The InChIKey is PFZYBNKGCSDBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2/c1-5(9(12)13)14-8-3-2-6(11)4-7(8)10/h2-5H,11H2,1H3,(H2,12,13).
What are the key properties of 2-(4-amino-2-fluorophenoxy)propanamide?
2-(4-amino-2-fluorophenoxy)propanamide has a molecular weight of 198.20 g/mol, XLogP of 0.66, 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)propanamide is sourced from PubChem (CID 43259260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).