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

C17H17F6NO2 — CID 29465196

IUPAC2-[3,5-bis(trifluoromethyl)phenoxy]-N-(dicyclopropylmethyl)acetamide
SMILESO=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC(C1CC1)C1CC1
InChIInChI=1S/C17H17F6NO2/c18-16(19,20)11-5-12(17(21,22)23)7-13(6-11)26-8-14(25)24-15(9-1-2-9)10-3-4-10/h5-7,9-10,15H,1-4,8H2,(H,24,25)
InChIKeyKONKAOHIVGPOEM-UHFFFAOYSA-N
MW381.32 g/mol
LogP4.41
Rot. Bonds6

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

2-[3,5-bis(trifluoromethyl)phenoxy]-N-(dicyclopropylmethyl)acetamide (PubChem CID 29465196) has the molecular formula C17H17F6NO2 and a molecular weight of 381.32 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(dicyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenoxy]-N-(dicyclopropylmethyl)acetamide
PubChem CID29465196
Molecular FormulaC17H17F6NO2
Molecular Weight381.32 g/mol
Exact Mass381.12
IUPAC Name2-[3,5-bis(trifluoromethyl)phenoxy]-N-(dicyclopropylmethyl)acetamide
SMILESO=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC(C1CC1)C1CC1
InChIInChI=1S/C17H17F6NO2/c18-16(19,20)11-5-12(17(21,22)23)7-13(6-11)26-8-14(25)24-15(9-1-2-9)10-3-4-10/h5-7,9-10,15H,1-4,8H2,(H,24,25)
InChIKeyKONKAOHIVGPOEM-UHFFFAOYSA-N
XLogP4.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.32
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3,5-bis(trifluoromethyl)phenoxy]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 78544557
N-(dicyclopropylmethyl)-2-(3-formylphenoxy)acetamide
CID 29462813
N-(dicyclopropylmethyl)-2-[4-(trifluoromethyl)anilino]acetamide
CID 29454713
methyl N-[4-[2-(dicyclopropylmethylamino)-2-oxoethoxy]phenyl]carbamate
CID 60522515
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(2-methylpropylcarbamoyl)acetamide
CID 7796197
2-[3,5-bis(trifluoromethyl)phenoxy]-N,N-dimethylacetamide
CID 78760649
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2544509
N-(4-aminocyclohexyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride
CID 119475585
4-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-ethylbenzamide
CID 112836068
2-[3,5-bis(trifluoromethyl)phenoxy]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 78889476
N-benzhydryl-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758154
2-[3-amino-5-(trifluoromethyl)phenoxy]acetamide
CID 21049544

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(dicyclopropylmethyl)acetamide?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(dicyclopropylmethyl)acetamide (CID 29465196) is 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(dicyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(dicyclopropylmethyl)acetamide?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(dicyclopropylmethyl)acetamide is O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC(C1CC1)C1CC1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(dicyclopropylmethyl)acetamide?
The InChIKey is KONKAOHIVGPOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F6NO2/c18-16(19,20)11-5-12(17(21,22)23)7-13(6-11)26-8-14(25)24-15(9-1-2-9)10-3-4-10/h5-7,9-10,15H,1-4,8H2,(H,24,25).
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(dicyclopropylmethyl)acetamide?
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(dicyclopropylmethyl)acetamide has a molecular weight of 381.32 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenoxy]-N-(dicyclopropylmethyl)acetamide is sourced from PubChem (CID 29465196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).