2-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]ethoxy]acetamide

C12H14F4N2O2 — CID 106235900

IUPAC2-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]ethoxy]acetamide
SMILESNC(=O)COCCNCc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H14F4N2O2/c13-10-4-8(3-9(5-10)12(14,15)16)6-18-1-2-20-7-11(17)19/h3-5,18H,1-2,6-7H2,(H2,17,19)
InChIKeyDWXZOCBTMBWHLL-UHFFFAOYSA-N
MW294.25 g/mol
LogP1.44
Rot. Bonds7

About 2-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]ethoxy]acetamide

2-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]ethoxy]acetamide (PubChem CID 106235900) has the molecular formula C12H14F4N2O2 and a molecular weight of 294.25 g/mol. Its IUPAC name is 2-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]ethoxy]acetamide
PubChem CID106235900
Molecular FormulaC12H14F4N2O2
Molecular Weight294.25 g/mol
Exact Mass294.10
IUPAC Name2-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]ethoxy]acetamide
SMILESNC(=O)COCCNCc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H14F4N2O2/c13-10-4-8(3-9(5-10)12(14,15)16)6-18-1-2-20-7-11(17)19/h3-5,18H,1-2,6-7H2,(H2,17,19)
InChIKeyDWXZOCBTMBWHLL-UHFFFAOYSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 51.44
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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Related Compounds

3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propanamide
CID 115350323
3-butoxy-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 115748160
2-[3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propoxy]ethanol
CID 103992458
2-[2-[(3,5-dichlorophenyl)methylamino]ethoxy]acetamide
CID 114162125
3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide
CID 106171481
3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-methylpropanamide
CID 115282805
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 83306725
2-[2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]ethoxy]acetamide
CID 114161954
2-[2-[[3-(trifluoromethoxy)phenyl]methylamino]ethoxy]acetamide
CID 106236424
2-[2-[(2,4,5-trifluorophenyl)methylamino]ethoxy]acetamide
CID 106235049
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]hexan-1-amine
CID 115350279
2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]acetamide
CID 106236435

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]ethoxy]acetamide (CID 106235900) is 2-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]ethoxy]acetamide is NC(=O)COCCNCc1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]ethoxy]acetamide?
The InChIKey is DWXZOCBTMBWHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2O2/c13-10-4-8(3-9(5-10)12(14,15)16)6-18-1-2-20-7-11(17)19/h3-5,18H,1-2,6-7H2,(H2,17,19).
What are the key properties of 2-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]ethoxy]acetamide?
2-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]ethoxy]acetamide has a molecular weight of 294.25 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]ethoxy]acetamide is sourced from PubChem (CID 106235900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).