2-[2-bromo-5-(trifluoromethyl)phenoxy]-N-cyclohexylacetamide

C15H17BrF3NO2 — CID 172906922

IUPAC2-[2-bromo-5-(trifluoromethyl)phenoxy]-N-cyclohexylacetamide
SMILESO=C(COc1cc(C(F)(F)F)ccc1Br)NC1CCCCC1
InChIInChI=1S/C15H17BrF3NO2/c16-12-7-6-10(15(17,18)19)8-13(12)22-9-14(21)20-11-4-2-1-3-5-11/h6-8,11H,1-5,9H2,(H,20,21)
InChIKeyUOYHJDIKPXZGPF-UHFFFAOYSA-N
MW380.20 g/mol
LogP4.30
Rot. Bonds4

About 2-[2-bromo-5-(trifluoromethyl)phenoxy]-N-cyclohexylacetamide

2-[2-bromo-5-(trifluoromethyl)phenoxy]-N-cyclohexylacetamide (PubChem CID 172906922) has the molecular formula C15H17BrF3NO2 and a molecular weight of 380.20 g/mol. Its IUPAC name is 2-[2-bromo-5-(trifluoromethyl)phenoxy]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[2-bromo-5-(trifluoromethyl)phenoxy]-N-cyclohexylacetamide
PubChem CID172906922
Molecular FormulaC15H17BrF3NO2
Molecular Weight380.20 g/mol
Exact Mass379.04
IUPAC Name2-[2-bromo-5-(trifluoromethyl)phenoxy]-N-cyclohexylacetamide
SMILESO=C(COc1cc(C(F)(F)F)ccc1Br)NC1CCCCC1
InChIInChI=1S/C15H17BrF3NO2/c16-12-7-6-10(15(17,18)19)8-13(12)22-9-14(21)20-11-4-2-1-3-5-11/h6-8,11H,1-5,9H2,(H,20,21)
InChIKeyUOYHJDIKPXZGPF-UHFFFAOYSA-N
XLogP4.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.20
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-5-fluorophenoxy)-N-cyclopentylacetamide
CID 81495219
2-(2-bromo-4-methoxyphenoxy)-N-cycloheptylacetamide
CID 104704670
2-(2-amino-4-bromophenoxy)-N-cycloheptylacetamide
CID 65430153
2-(4-bromo-2-ethylphenoxy)-N-cyclododecylacetamide
CID 19201445
2-(2-bromo-4-propylphenoxy)-N-cycloheptylacetamide
CID 19201484
tert-butyl N-[1-[2-[2-bromo-5-(trifluoromethyl)phenoxy]ethyl]piperidin-4-yl]carbamate
CID 170855026
2-(2-bromo-4-propan-2-ylphenoxy)-N-cyclopentylacetamide
CID 893611
[2-(cyclooctylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 35564776
2-(4-amino-2,6-dibromophenoxy)-N-cyclohexylacetamide
CID 43351708
2-(2-amino-4-fluorophenoxy)-N-cyclohexylacetamide
CID 55068862
2-[(2-bromo-3-fluoro-4-pyridinyl)oxy]-N-cyclopentylacetamide
CID 127267066
2-(4-bromo-2-sulfamoylphenoxy)-N-cyclopentylacetamide
CID 82916266

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-5-(trifluoromethyl)phenoxy]-N-cyclohexylacetamide?
The IUPAC name of 2-[2-bromo-5-(trifluoromethyl)phenoxy]-N-cyclohexylacetamide (CID 172906922) is 2-[2-bromo-5-(trifluoromethyl)phenoxy]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[2-bromo-5-(trifluoromethyl)phenoxy]-N-cyclohexylacetamide?
The canonical SMILES for 2-[2-bromo-5-(trifluoromethyl)phenoxy]-N-cyclohexylacetamide is O=C(COc1cc(C(F)(F)F)ccc1Br)NC1CCCCC1.
What is the InChIKey of 2-[2-bromo-5-(trifluoromethyl)phenoxy]-N-cyclohexylacetamide?
The InChIKey is UOYHJDIKPXZGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrF3NO2/c16-12-7-6-10(15(17,18)19)8-13(12)22-9-14(21)20-11-4-2-1-3-5-11/h6-8,11H,1-5,9H2,(H,20,21).
What are the key properties of 2-[2-bromo-5-(trifluoromethyl)phenoxy]-N-cyclohexylacetamide?
2-[2-bromo-5-(trifluoromethyl)phenoxy]-N-cyclohexylacetamide has a molecular weight of 380.20 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-5-(trifluoromethyl)phenoxy]-N-cyclohexylacetamide is sourced from PubChem (CID 172906922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).