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

C13H15F3N2O3 — CID 56812704

IUPAC4-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]butanamide
SMILESNC(=O)CCCNC(=O)COc1ccccc1C(F)(F)F
InChIInChI=1S/C13H15F3N2O3/c14-13(15,16)9-4-1-2-5-10(9)21-8-12(20)18-7-3-6-11(17)19/h1-2,4-5H,3,6-8H2,(H2,17,19)(H,18,20)
InChIKeyOEOKVIWEVYKAIU-UHFFFAOYSA-N
MW304.27 g/mol
LogP1.47
Rot. Bonds7

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

4-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]butanamide (PubChem CID 56812704) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is 4-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]butanamide.

Molecular Properties

Compound Name4-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]butanamide
PubChem CID56812704
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC Name4-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]butanamide
SMILESNC(=O)CCCNC(=O)COc1ccccc1C(F)(F)F
InChIInChI=1S/C13H15F3N2O3/c14-13(15,16)9-4-1-2-5-10(9)21-8-12(20)18-7-3-6-11(17)19/h1-2,4-5H,3,6-8H2,(H2,17,19)(H,18,20)
InChIKeyOEOKVIWEVYKAIU-UHFFFAOYSA-N
XLogP1.47
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.47
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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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]butanamide?
The IUPAC name of 4-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]butanamide (CID 56812704) is 4-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]butanamide.
What is the SMILES notation for 4-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]butanamide?
The canonical SMILES for 4-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]butanamide is NC(=O)CCCNC(=O)COc1ccccc1C(F)(F)F.
What is the InChIKey of 4-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]butanamide?
The InChIKey is OEOKVIWEVYKAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c14-13(15,16)9-4-1-2-5-10(9)21-8-12(20)18-7-3-6-11(17)19/h1-2,4-5H,3,6-8H2,(H2,17,19)(H,18,20).
What are the key properties of 4-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]butanamide?
4-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]butanamide has a molecular weight of 304.27 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]butanamide is sourced from PubChem (CID 56812704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).