2-[4-formyl-2-(trifluoromethyl)phenoxy]-N-(2-methylpropyl)acetamide

C14H16F3NO3 — CID 63320739

IUPAC2-[4-formyl-2-(trifluoromethyl)phenoxy]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)COc1ccc(C=O)cc1C(F)(F)F
InChIInChI=1S/C14H16F3NO3/c1-9(2)6-18-13(20)8-21-12-4-3-10(7-19)5-11(12)14(15,16)17/h3-5,7,9H,6,8H2,1-2H3,(H,18,20)
InChIKeyOZCUSIBLABCGRF-UHFFFAOYSA-N
MW303.28 g/mol
LogP2.67
Rot. Bonds6

About 2-[4-formyl-2-(trifluoromethyl)phenoxy]-N-(2-methylpropyl)acetamide

2-[4-formyl-2-(trifluoromethyl)phenoxy]-N-(2-methylpropyl)acetamide (PubChem CID 63320739) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is 2-[4-formyl-2-(trifluoromethyl)phenoxy]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-formyl-2-(trifluoromethyl)phenoxy]-N-(2-methylpropyl)acetamide
PubChem CID63320739
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Name2-[4-formyl-2-(trifluoromethyl)phenoxy]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)COc1ccc(C=O)cc1C(F)(F)F
InChIInChI=1S/C14H16F3NO3/c1-9(2)6-18-13(20)8-21-12-4-3-10(7-19)5-11(12)14(15,16)17/h3-5,7,9H,6,8H2,1-2H3,(H,18,20)
InChIKeyOZCUSIBLABCGRF-UHFFFAOYSA-N
XLogP2.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[4-formyl-2-(trifluoromethyl)phenoxy]acetamide
CID 55205672
methyl 2-[4-formyl-2-(trifluoromethyl)phenoxy]acetate
CID 63320737
2-[4-formyl-2-(trifluoromethyl)phenoxy]acetamide
CID 63320694
4-(2-chloroprop-2-enoxy)-3-(trifluoromethyl)benzaldehyde
CID 55206244
2-(2-fluoro-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 113338147
2-(2-formyl-4-methoxyphenoxy)-N-(2-methylpropyl)acetamide
CID 8633827
2-(2-ethoxy-4-formylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7820624
4-(2-hydroxyethoxy)-3-(trifluoromethyl)benzaldehyde
CID 63320389
3-[4-formyl-2-(trifluoromethyl)phenoxy]-N,N-dimethylpropanamide
CID 63320392
2-(2-tert-butyl-5-methylphenoxy)-N-(2-methylpropyl)acetamide
CID 19165047
2-[4-(ethylaminomethyl)-2-fluorophenoxy]-N-(2-methylpropyl)acetamide
CID 107687125
4-(4-hydroxybutoxy)-3-(trifluoromethyl)benzaldehyde
CID 63320609

Frequently Asked Questions

What is the IUPAC name of 2-[4-formyl-2-(trifluoromethyl)phenoxy]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[4-formyl-2-(trifluoromethyl)phenoxy]-N-(2-methylpropyl)acetamide (CID 63320739) is 2-[4-formyl-2-(trifluoromethyl)phenoxy]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[4-formyl-2-(trifluoromethyl)phenoxy]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[4-formyl-2-(trifluoromethyl)phenoxy]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)COc1ccc(C=O)cc1C(F)(F)F.
What is the InChIKey of 2-[4-formyl-2-(trifluoromethyl)phenoxy]-N-(2-methylpropyl)acetamide?
The InChIKey is OZCUSIBLABCGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO3/c1-9(2)6-18-13(20)8-21-12-4-3-10(7-19)5-11(12)14(15,16)17/h3-5,7,9H,6,8H2,1-2H3,(H,18,20).
What are the key properties of 2-[4-formyl-2-(trifluoromethyl)phenoxy]-N-(2-methylpropyl)acetamide?
2-[4-formyl-2-(trifluoromethyl)phenoxy]-N-(2-methylpropyl)acetamide has a molecular weight of 303.28 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-formyl-2-(trifluoromethyl)phenoxy]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 63320739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).