2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]acetamide

C12H14F3NO2 — CID 112686648

IUPAC2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)OCC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO2/c1-8(2)18-7-11(17)16-10-5-3-9(4-6-10)12(13,14)15/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeyJVWDHJVHSRCEFH-UHFFFAOYSA-N
MW261.24 g/mol
LogP3.07
Rot. Bonds4

About 2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]acetamide

2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 112686648) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID112686648
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)OCC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO2/c1-8(2)18-7-11(17)16-10-5-3-9(4-6-10)12(13,14)15/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeyJVWDHJVHSRCEFH-UHFFFAOYSA-N
XLogP3.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-2-propan-2-yloxyacetamide
CID 112601696
N-[2-methyl-5-(trifluoromethyl)phenyl]-2-propan-2-yloxyacetamide
CID 112696057
N-[4-(chloromethyl)phenyl]-2-propan-2-yloxyacetamide
CID 112604074
N-[4-(3-methyl-2-oxobutyl)phenyl]-2-propan-2-yloxyacetamide
CID 176753674
ethyl N-[4-[(2-propan-2-yloxyacetyl)amino]phenyl]carbamate
CID 47413009
N-[4-(2-aminoethyl)phenyl]-2-propan-2-yloxyacetamide
CID 112601731
N-(2-methylpropyl)-N'-[4-(trifluoromethyl)phenyl]propanediamide
CID 108941680
N-(2-hydroxyethyl)-4-[(2-propan-2-yloxyacetyl)amino]benzamide
CID 115950038
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8887195
N-[4-[1-(ethylamino)ethyl]phenyl]-2-propan-2-yloxyacetamide
CID 112602421
2-[4-[(2-propan-2-yloxyacetyl)amino]phenoxy]acetamide
CID 47412803
2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 17071417

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]acetamide (CID 112686648) is 2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]acetamide is CC(C)OCC(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is JVWDHJVHSRCEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-8(2)18-7-11(17)16-10-5-3-9(4-6-10)12(13,14)15/h3-6,8H,7H2,1-2H3,(H,16,17).
What are the key properties of 2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]acetamide?
2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 261.24 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 112686648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).