2-(3-bromophenoxy)-N-[3-(trifluoromethyl)cyclohexyl]acetamide

C15H17BrF3NO2 — CID 86918559

IUPAC2-(3-bromophenoxy)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
SMILESO=C(COc1cccc(Br)c1)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H17BrF3NO2/c16-11-4-2-6-13(8-11)22-9-14(21)20-12-5-1-3-10(7-12)15(17,18)19/h2,4,6,8,10,12H,1,3,5,7,9H2,(H,20,21)
InChIKeyOIZAODDSVRYCJR-UHFFFAOYSA-N
MW380.20 g/mol
LogP4.07
Rot. Bonds4

About 2-(3-bromophenoxy)-N-[3-(trifluoromethyl)cyclohexyl]acetamide

2-(3-bromophenoxy)-N-[3-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 86918559) has the molecular formula C15H17BrF3NO2 and a molecular weight of 380.20 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-[3-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID86918559
Molecular FormulaC15H17BrF3NO2
Molecular Weight380.20 g/mol
Exact Mass379.04
IUPAC Name2-(3-bromophenoxy)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
SMILESO=C(COc1cccc(Br)c1)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H17BrF3NO2/c16-11-4-2-6-13(8-11)22-9-14(21)20-12-5-1-3-10(7-12)15(17,18)19/h2,4,6,8,10,12H,1,3,5,7,9H2,(H,20,21)
InChIKeyOIZAODDSVRYCJR-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-naphthalen-2-yloxy-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 42883922
cis-(1R,3S)-3-[[2-(3-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 106321314
2-(2-benzylphenoxy)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 18147791
ethyl 4-[[2-(3-bromophenoxy)acetyl]amino]piperidine-1-carboxylate
CID 9012567
2-(3-bromophenoxy)-N-(1-propylpiperidin-1-ium-4-yl)acetamide
CID 9264469
2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]acetamide
CID 31061860
2-(4-fluorophenyl)-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 47021134
2-(5-chloroquinolin-8-yl)oxy-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 55525311
2-phenoxy-N-[3-(trifluoromethyl)cyclohexyl]propanamide
CID 86920505
6-bromo-N-[3-(trifluoromethyl)cyclohexyl]pyridine-2-carboxamide
CID 103875087
N-piperidin-4-yl-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 119386965
1-phenylmethoxy-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 36969496

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-[3-(trifluoromethyl)cyclohexyl]acetamide (CID 86918559) is 2-(3-bromophenoxy)-N-[3-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-[3-(trifluoromethyl)cyclohexyl]acetamide is O=C(COc1cccc(Br)c1)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-(3-bromophenoxy)-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is OIZAODDSVRYCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrF3NO2/c16-11-4-2-6-13(8-11)22-9-14(21)20-12-5-1-3-10(7-12)15(17,18)19/h2,4,6,8,10,12H,1,3,5,7,9H2,(H,20,21).
What are the key properties of 2-(3-bromophenoxy)-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
2-(3-bromophenoxy)-N-[3-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 380.20 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-[3-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 86918559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).