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

C13H16F3NO2 — CID 112686778

IUPAC2-propan-2-yloxy-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCC(C)OCC(=O)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3NO2/c1-9(2)19-8-12(18)17-7-10-5-3-4-6-11(10)13(14,15)16/h3-6,9H,7-8H2,1-2H3,(H,17,18)
InChIKeyFIKSRMJPAJRGGN-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.75
Rot. Bonds5

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

2-propan-2-yloxy-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 112686778) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-propan-2-yloxy-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-propan-2-yloxy-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID112686778
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name2-propan-2-yloxy-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCC(C)OCC(=O)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3NO2/c1-9(2)19-8-12(18)17-7-10-5-3-4-6-11(10)13(14,15)16/h3-6,9H,7-8H2,1-2H3,(H,17,18)
InChIKeyFIKSRMJPAJRGGN-UHFFFAOYSA-N
XLogP2.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-ethylphenyl)methyl]-2-propan-2-yloxyacetamide
CID 112692670
(2S)-2-amino-3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
CID 62879432
2-amino-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 62879781
2-sulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 107028778
2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 57455734
3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 110480450
5-amino-4-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
CID 82010760
4-(propan-2-ylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide
CID 62879951
[2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl] 4-ethylbenzoate
CID 71820618
2-(ethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 55129029
N-[(2-nitrophenyl)methyl]-2-propan-2-yloxyacetamide
CID 47413238
4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide
CID 126520228

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-propan-2-yloxy-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide (CID 112686778) is 2-propan-2-yloxy-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-propan-2-yloxy-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-propan-2-yloxy-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide is CC(C)OCC(=O)NCc1ccccc1C(F)(F)F.
What is the InChIKey of 2-propan-2-yloxy-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is FIKSRMJPAJRGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-9(2)19-8-12(18)17-7-10-5-3-4-6-11(10)13(14,15)16/h3-6,9H,7-8H2,1-2H3,(H,17,18).
What are the key properties of 2-propan-2-yloxy-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
2-propan-2-yloxy-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 275.27 g/mol, XLogP of 2.75, 5 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-[[2-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 112686778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).