3-[[2-(2-fluorophenoxy)acetyl]amino]propyl-dimethylazanium

C13H20FN2O2+ — CID 2330207

IUPAC3-[[2-(2-fluorophenoxy)acetyl]amino]propyl-dimethylazanium
SMILESC[NH+](C)CCCNC(=O)COc1ccccc1F
InChIInChI=1S/C13H19FN2O2/c1-16(2)9-5-8-15-13(17)10-18-12-7-4-3-6-11(12)14/h3-4,6-7H,5,8-10H2,1-2H3,(H,15,17)/p+1
InChIKeyQNORJHLBIGWBJX-UHFFFAOYSA-O
MW255.31 g/mol
LogP-0.14
Rot. Bonds7

About 3-[[2-(2-fluorophenoxy)acetyl]amino]propyl-dimethylazanium

3-[[2-(2-fluorophenoxy)acetyl]amino]propyl-dimethylazanium (PubChem CID 2330207) has the molecular formula C13H20FN2O2+ and a molecular weight of 255.31 g/mol. Its IUPAC name is 3-[[2-(2-fluorophenoxy)acetyl]amino]propyl-dimethylazanium.

Molecular Properties

Compound Name3-[[2-(2-fluorophenoxy)acetyl]amino]propyl-dimethylazanium
PubChem CID2330207
Molecular FormulaC13H20FN2O2+
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name3-[[2-(2-fluorophenoxy)acetyl]amino]propyl-dimethylazanium
SMILESC[NH+](C)CCCNC(=O)COc1ccccc1F
InChIInChI=1S/C13H19FN2O2/c1-16(2)9-5-8-15-13(17)10-18-12-7-4-3-6-11(12)14/h3-4,6-7H,5,8-10H2,1-2H3,(H,15,17)/p+1
InChIKeyQNORJHLBIGWBJX-UHFFFAOYSA-O
XLogP-0.14
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenoxy)-N-[3-(methanesulfonamido)propyl]acetamide
CID 38419839
2-(2-fluorophenoxy)-N-(3-pyrrol-1-ylpropyl)acetamide
CID 90500606
2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7700300
N-[2-(2-fluorophenoxy)ethyl]-2-(2-methylphenoxy)acetamide
CID 18113601
2-(2-ethoxyphenoxy)-N-[2-(2-fluorophenoxy)ethyl]acetamide
CID 8961012
2-(2-fluorophenoxy)-N-[3-(4-fluorophenyl)sulfanylpropyl]acetamide
CID 112793555
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2-fluorophenoxy)acetamide
CID 48586236
N-[3-(2-fluorophenoxy)propyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18120320
N-[2-(3,4-difluorophenyl)ethyl]-2-(2-fluorophenoxy)acetamide
CID 110788270
methyl 4-[2-[[2-(2-fluorophenoxy)acetyl]amino]ethyl]benzoate
CID 36775654
N-[(4S)-4-(1,3-dioxolan-2-yl)-4-methylheptyl]-2-(2-fluorophenoxy)acetamide
CID 95784551
2-(2-fluorophenoxy)-N-[2-(1-methylpyrrol-3-yl)ethyl]acetamide
CID 110789233

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-fluorophenoxy)acetyl]amino]propyl-dimethylazanium?
The IUPAC name of 3-[[2-(2-fluorophenoxy)acetyl]amino]propyl-dimethylazanium (CID 2330207) is 3-[[2-(2-fluorophenoxy)acetyl]amino]propyl-dimethylazanium.
What is the SMILES notation for 3-[[2-(2-fluorophenoxy)acetyl]amino]propyl-dimethylazanium?
The canonical SMILES for 3-[[2-(2-fluorophenoxy)acetyl]amino]propyl-dimethylazanium is C[NH+](C)CCCNC(=O)COc1ccccc1F.
What is the InChIKey of 3-[[2-(2-fluorophenoxy)acetyl]amino]propyl-dimethylazanium?
The InChIKey is QNORJHLBIGWBJX-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H19FN2O2/c1-16(2)9-5-8-15-13(17)10-18-12-7-4-3-6-11(12)14/h3-4,6-7H,5,8-10H2,1-2H3,(H,15,17)/p+1.
What are the key properties of 3-[[2-(2-fluorophenoxy)acetyl]amino]propyl-dimethylazanium?
3-[[2-(2-fluorophenoxy)acetyl]amino]propyl-dimethylazanium has a molecular weight of 255.31 g/mol, XLogP of -0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-fluorophenoxy)acetyl]amino]propyl-dimethylazanium is sourced from PubChem (CID 2330207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).