2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-methylpropylcarbamoyl)acetamide

C15H16F6N2O3 — CID 7796197

IUPAC2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-methylpropylcarbamoyl)acetamide
SMILESCC(C)CNC(=O)NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H16F6N2O3/c1-8(2)6-22-13(25)23-12(24)7-26-11-4-9(14(16,17)18)3-10(5-11)15(19,20)21/h3-5,8H,6-7H2,1-2H3,(H2,22,23,24,25)
InChIKeyOBVACBXWMBJTTJ-UHFFFAOYSA-N
MW386.29 g/mol
LogP3.58
Rot. Bonds5

About 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-methylpropylcarbamoyl)acetamide

2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-methylpropylcarbamoyl)acetamide (PubChem CID 7796197) has the molecular formula C15H16F6N2O3 and a molecular weight of 386.29 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-methylpropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-methylpropylcarbamoyl)acetamide
PubChem CID7796197
Molecular FormulaC15H16F6N2O3
Molecular Weight386.29 g/mol
Exact Mass386.11
IUPAC Name2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-methylpropylcarbamoyl)acetamide
SMILESCC(C)CNC(=O)NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H16F6N2O3/c1-8(2)6-22-13(25)23-12(24)7-26-11-4-9(14(16,17)18)3-10(5-11)15(19,20)21/h3-5,8H,6-7H2,1-2H3,(H2,22,23,24,25)
InChIKeyOBVACBXWMBJTTJ-UHFFFAOYSA-N
XLogP3.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.29
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,5-bis(trifluoromethyl)phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2544509
2-(4-bromo-2-fluorophenoxy)-N-(2-methylpropylcarbamoyl)acetamide
CID 2522972
2-(2-bromo-4-fluorophenoxy)-N-(2-methylpropylcarbamoyl)acetamide
CID 34650983
2-(3-tert-butylphenoxy)-N-(2-methylpropyl)acetamide
CID 112977536
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(dicyclopropylmethyl)acetamide
CID 29465196
2-[4-(3-methyl-2-oxobutoxy)phenoxy]-N-(2-methylpropyl)acetamide
CID 23405136
2-[3,5-bis(trifluoromethyl)phenoxy]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 34964094
2-[3,5-bis(trifluoromethyl)phenoxy]-N,N-dimethylacetamide
CID 78760649
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 8912438
2-[3,5-bis(trifluoromethyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 16526066
4-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-ethylbenzamide
CID 112836068
N-[2-[3,5-bis(trifluoromethyl)phenoxy]ethyl]-3-methylpentanamide
CID 123476859

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-methylpropylcarbamoyl)acetamide?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-methylpropylcarbamoyl)acetamide (CID 7796197) is 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-methylpropylcarbamoyl)acetamide.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-methylpropylcarbamoyl)acetamide?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-methylpropylcarbamoyl)acetamide is CC(C)CNC(=O)NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-methylpropylcarbamoyl)acetamide?
The InChIKey is OBVACBXWMBJTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F6N2O3/c1-8(2)6-22-13(25)23-12(24)7-26-11-4-9(14(16,17)18)3-10(5-11)15(19,20)21/h3-5,8H,6-7H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-methylpropylcarbamoyl)acetamide?
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-methylpropylcarbamoyl)acetamide has a molecular weight of 386.29 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-methylpropylcarbamoyl)acetamide is sourced from PubChem (CID 7796197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).