2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide

C11H11F3N2O3 — CID 8510054

IUPAC2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
SMILESNC(=O)CNC(=O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H11F3N2O3/c12-11(13,14)7-1-3-8(4-2-7)19-6-10(18)16-5-9(15)17/h1-4H,5-6H2,(H2,15,17)(H,16,18)
InChIKeyJBDFQJRHBRDMFO-UHFFFAOYSA-N
MW276.21 g/mol
LogP0.69
Rot. Bonds5

About 2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide

2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide (PubChem CID 8510054) has the molecular formula C11H11F3N2O3 and a molecular weight of 276.21 g/mol. Its IUPAC name is 2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide.

Molecular Properties

Compound Name2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
PubChem CID8510054
Molecular FormulaC11H11F3N2O3
Molecular Weight276.21 g/mol
Exact Mass276.07
IUPAC Name2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
SMILESNC(=O)CNC(=O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H11F3N2O3/c12-11(13,14)7-1-3-8(4-2-7)19-6-10(18)16-5-9(15)17/h1-4H,5-6H2,(H2,15,17)(H,16,18)
InChIKeyJBDFQJRHBRDMFO-UHFFFAOYSA-N
XLogP0.69
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-aminophenoxy)acetyl]amino]acetamide
CID 61090712
N-propyl-2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
CID 8510023
2-[4-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55772582
2-[[2-(4-bromophenoxy)acetyl]amino]acetamide
CID 9011663
2-[[2-[4-(aminomethyl)phenoxy]acetyl]amino]acetamide
CID 16774708
2-(4-fluorophenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052645
N-[(3S)-3-hydroxy-4-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]butyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 138632795
4-(2-amino-2-oxoethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 17452852
4-methoxy-N-[2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]ethyl]benzamide
CID 60513577
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 120946931
2-(4-propanoylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052429
N-[2-(aminomethyl)cyclohexyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 119611391

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide?
The IUPAC name of 2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide (CID 8510054) is 2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide.
What is the SMILES notation for 2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide?
The canonical SMILES for 2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide is NC(=O)CNC(=O)COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide?
The InChIKey is JBDFQJRHBRDMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O3/c12-11(13,14)7-1-3-8(4-2-7)19-6-10(18)16-5-9(15)17/h1-4H,5-6H2,(H2,15,17)(H,16,18).
What are the key properties of 2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide?
2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide has a molecular weight of 276.21 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide is sourced from PubChem (CID 8510054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).