2-[ethyl(3-hydroxypropyl)amino]-N-(2,3,4-trifluorophenyl)acetamide

C13H17F3N2O2 — CID 115674927

IUPAC2-[ethyl(3-hydroxypropyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCN(CCCO)CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C13H17F3N2O2/c1-2-18(6-3-7-19)8-11(20)17-10-5-4-9(14)12(15)13(10)16/h4-5,19H,2-3,6-8H2,1H3,(H,17,20)
InChIKeyYCXKMMXORKGPKU-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.75
Rot. Bonds7

About 2-[ethyl(3-hydroxypropyl)amino]-N-(2,3,4-trifluorophenyl)acetamide

2-[ethyl(3-hydroxypropyl)amino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 115674927) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-[ethyl(3-hydroxypropyl)amino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[ethyl(3-hydroxypropyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID115674927
Molecular FormulaC13H17F3N2O2
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC Name2-[ethyl(3-hydroxypropyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCN(CCCO)CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C13H17F3N2O2/c1-2-18(6-3-7-19)8-11(20)17-10-5-4-9(14)12(15)13(10)16/h4-5,19H,2-3,6-8H2,1H3,(H,17,20)
InChIKeyYCXKMMXORKGPKU-UHFFFAOYSA-N
XLogP1.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[ethyl(3-hydroxypropyl)amino]-N-(2-fluorophenyl)acetamide
CID 113246293
N-(5-chloro-2-methylphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide
CID 115573461
2-[ethyl(3-hydroxypropyl)amino]-N-(2-methylsulfanylphenyl)acetamide
CID 115669636
2-[2-aminoethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 62686094
2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2657242
2-[(2-methylphenyl)methyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 24566253
N-(3-methoxypropyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide
CID 78787969
2-[butyl(ethyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 78821204
2-[[2-(2-ethoxyanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 27221961
2-[[2-(3-acetamidoanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 78787968
methyl N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]carbamate
CID 47129086
2-[[2-(3-ethylanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 27104051

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(3-hydroxypropyl)amino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[ethyl(3-hydroxypropyl)amino]-N-(2,3,4-trifluorophenyl)acetamide (CID 115674927) is 2-[ethyl(3-hydroxypropyl)amino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[ethyl(3-hydroxypropyl)amino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[ethyl(3-hydroxypropyl)amino]-N-(2,3,4-trifluorophenyl)acetamide is CCN(CCCO)CC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-[ethyl(3-hydroxypropyl)amino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is YCXKMMXORKGPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-2-18(6-3-7-19)8-11(20)17-10-5-4-9(14)12(15)13(10)16/h4-5,19H,2-3,6-8H2,1H3,(H,17,20).
What are the key properties of 2-[ethyl(3-hydroxypropyl)amino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[ethyl(3-hydroxypropyl)amino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 290.28 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(3-hydroxypropyl)amino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 115674927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).