2-[2-[(2,4,5-trifluorophenyl)methylamino]ethoxy]acetamide

C11H13F3N2O2 — CID 106235049

IUPAC2-[2-[(2,4,5-trifluorophenyl)methylamino]ethoxy]acetamide
SMILESNC(=O)COCCNCc1cc(F)c(F)cc1F
InChIInChI=1S/C11H13F3N2O2/c12-8-4-10(14)9(13)3-7(8)5-16-1-2-18-6-11(15)17/h3-4,16H,1-2,5-6H2,(H2,15,17)
InChIKeyUYZBVOZPPKTPRR-UHFFFAOYSA-N
MW262.23 g/mol
LogP0.70
Rot. Bonds7

About 2-[2-[(2,4,5-trifluorophenyl)methylamino]ethoxy]acetamide

2-[2-[(2,4,5-trifluorophenyl)methylamino]ethoxy]acetamide (PubChem CID 106235049) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-[2-[(2,4,5-trifluorophenyl)methylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(2,4,5-trifluorophenyl)methylamino]ethoxy]acetamide
PubChem CID106235049
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name2-[2-[(2,4,5-trifluorophenyl)methylamino]ethoxy]acetamide
SMILESNC(=O)COCCNCc1cc(F)c(F)cc1F
InChIInChI=1S/C11H13F3N2O2/c12-8-4-10(14)9(13)3-7(8)5-16-1-2-18-6-11(15)17/h3-4,16H,1-2,5-6H2,(H2,15,17)
InChIKeyUYZBVOZPPKTPRR-UHFFFAOYSA-N
XLogP0.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethoxy]acetamide
CID 106235678
2-[2-[(4-cyano-2,6-difluorophenyl)methylamino]ethoxy]acetamide
CID 106235036
2-[2-[(3,5-dichlorophenyl)methylamino]ethoxy]acetamide
CID 114162125
3-[(2,4,5-trifluorophenyl)methylamino]propanoic acid
CID 18618366
2-[3-[(2,4,5-trifluorophenyl)methylamino]propoxy]ethanol
CID 103992547
4-[[2-(2-amino-2-oxoethoxy)ethylamino]methyl]-5-methylfuran-2-carboxylic acid
CID 106238468
2-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]ethoxy]acetamide
CID 106235900
2-[2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]ethoxy]acetamide
CID 114161954
2-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethoxy]acetamide
CID 106236062
2-[2-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]ethoxy]acetamide
CID 106235635
2-[2-(pyrimidin-5-ylmethylamino)ethoxy]acetamide
CID 106235813
2-[2-[(2,3-dimethoxyphenyl)methylamino]ethoxy]acetamide
CID 106235488

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,4,5-trifluorophenyl)methylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(2,4,5-trifluorophenyl)methylamino]ethoxy]acetamide (CID 106235049) is 2-[2-[(2,4,5-trifluorophenyl)methylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(2,4,5-trifluorophenyl)methylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(2,4,5-trifluorophenyl)methylamino]ethoxy]acetamide is NC(=O)COCCNCc1cc(F)c(F)cc1F.
What is the InChIKey of 2-[2-[(2,4,5-trifluorophenyl)methylamino]ethoxy]acetamide?
The InChIKey is UYZBVOZPPKTPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c12-8-4-10(14)9(13)3-7(8)5-16-1-2-18-6-11(15)17/h3-4,16H,1-2,5-6H2,(H2,15,17).
What are the key properties of 2-[2-[(2,4,5-trifluorophenyl)methylamino]ethoxy]acetamide?
2-[2-[(2,4,5-trifluorophenyl)methylamino]ethoxy]acetamide has a molecular weight of 262.23 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,4,5-trifluorophenyl)methylamino]ethoxy]acetamide is sourced from PubChem (CID 106235049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).