2-(2-aminoethoxy)-N-(3,4,5-trifluorophenyl)acetamide

C10H11F3N2O2 — CID 79478578

IUPAC2-(2-aminoethoxy)-N-(3,4,5-trifluorophenyl)acetamide
SMILESNCCOCC(=O)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C10H11F3N2O2/c11-7-3-6(4-8(12)10(7)13)15-9(16)5-17-2-1-14/h3-4H,1-2,5,14H2,(H,15,16)
InChIKeyNPKGVUCOQLXYIT-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.02
Rot. Bonds5

About 2-(2-aminoethoxy)-N-(3,4,5-trifluorophenyl)acetamide

2-(2-aminoethoxy)-N-(3,4,5-trifluorophenyl)acetamide (PubChem CID 79478578) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-(3,4,5-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-(3,4,5-trifluorophenyl)acetamide
PubChem CID79478578
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name2-(2-aminoethoxy)-N-(3,4,5-trifluorophenyl)acetamide
SMILESNCCOCC(=O)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C10H11F3N2O2/c11-7-3-6(4-8(12)10(7)13)15-9(16)5-17-2-1-14/h3-4H,1-2,5,14H2,(H,15,16)
InChIKeyNPKGVUCOQLXYIT-UHFFFAOYSA-N
XLogP1.02
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.02
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_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminoethoxy)-N-(3,5-dichlorophenyl)acetamide
CID 79464434
2-(2-aminoethoxy)-N-(3,5-dimethoxyphenyl)acetamide
CID 79464071
N-(4-acetamidophenyl)-2-(2-aminoethoxy)acetamide
CID 79463401
2-(2-aminoethoxy)-N-(6-fluoro-3-pyridinyl)acetamide
CID 103808701
3-[[2-(2-aminoethoxy)acetyl]amino]benzamide
CID 79479318
2-(2-aminoethoxy)-N-(2,6-difluoro-3-methylphenyl)acetamide
CID 82817938
N-[3-[[2-(2-aminoethoxy)acetyl]amino]phenyl]propanamide
CID 79473101
pentyl N-(3,4,5-trifluorophenyl)carbamate
CID 91118977
ethyl N-[4-[[2-(2-aminoethoxy)acetyl]amino]phenyl]carbamate
CID 79472872
2-(2-aminoethoxy)-N-(2-fluoro-4-methylphenyl)acetamide
CID 79463499
5-[[2-(2-aminoethoxy)acetyl]amino]-2,4-difluorobenzoic acid
CID 79472946
2-(2-aminoethoxy)-N-(2-fluoro-5-methylphenyl)acetamide
CID 79464256

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-(3,4,5-trifluorophenyl)acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-(3,4,5-trifluorophenyl)acetamide (CID 79478578) is 2-(2-aminoethoxy)-N-(3,4,5-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-(3,4,5-trifluorophenyl)acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-(3,4,5-trifluorophenyl)acetamide is NCCOCC(=O)Nc1cc(F)c(F)c(F)c1.
What is the InChIKey of 2-(2-aminoethoxy)-N-(3,4,5-trifluorophenyl)acetamide?
The InChIKey is NPKGVUCOQLXYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c11-7-3-6(4-8(12)10(7)13)15-9(16)5-17-2-1-14/h3-4H,1-2,5,14H2,(H,15,16).
What are the key properties of 2-(2-aminoethoxy)-N-(3,4,5-trifluorophenyl)acetamide?
2-(2-aminoethoxy)-N-(3,4,5-trifluorophenyl)acetamide has a molecular weight of 248.20 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-(3,4,5-trifluorophenyl)acetamide is sourced from PubChem (CID 79478578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).