N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]acetamide

C8H17FN2O2 — CID 153390661

IUPACN-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]acetamide
SMILESCNCCOCC(F)CNC(C)=O
InChIInChI=1S/C8H17FN2O2/c1-7(12)11-5-8(9)6-13-4-3-10-2/h8,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyVHBXERNQGJHQOU-UHFFFAOYSA-N
MW192.23 g/mol
LogP-0.30
Rot. Bonds7

About N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]acetamide

N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]acetamide (PubChem CID 153390661) has the molecular formula C8H17FN2O2 and a molecular weight of 192.23 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]acetamide
PubChem CID153390661
Molecular FormulaC8H17FN2O2
Molecular Weight192.23 g/mol
Exact Mass192.13
IUPAC NameN-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]acetamide
SMILESCNCCOCC(F)CNC(C)=O
InChIInChI=1S/C8H17FN2O2/c1-7(12)11-5-8(9)6-13-4-3-10-2/h8,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyVHBXERNQGJHQOU-UHFFFAOYSA-N
XLogP-0.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]acetamide?
The IUPAC name of N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]acetamide (CID 153390661) is N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]acetamide.
What is the SMILES notation for N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]acetamide?
The canonical SMILES for N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]acetamide is CNCCOCC(F)CNC(C)=O.
What is the InChIKey of N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]acetamide?
The InChIKey is VHBXERNQGJHQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2O2/c1-7(12)11-5-8(9)6-13-4-3-10-2/h8,10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]acetamide?
N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]acetamide has a molecular weight of 192.23 g/mol, XLogP of -0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[2-(methylamino)ethoxy]propyl]acetamide is sourced from PubChem (CID 153390661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).