N-[4-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]cyclohexyl]-2-[4-(trifluoromethyl)phenoxy]acetamide

C25H25F6NO4 — CID 147640243

IUPACN-[4-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]cyclohexyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1ccc(C(F)(F)F)cc1)CC1CCC(NC(=O)COc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C25H25F6NO4/c26-24(27,28)17-3-9-21(10-4-17)35-14-20(33)13-16-1-7-19(8-2-16)32-23(34)15-36-22-11-5-18(6-12-22)25(29,30)31/h3-6,9-12,16,19H,1-2,7-8,13-15H2,(H,32,34)
InChIKeyGHLVCLWQNWIRES-UHFFFAOYSA-N
MW517.47 g/mol
LogP5.82
Rot. Bonds9

About N-[4-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]cyclohexyl]-2-[4-(trifluoromethyl)phenoxy]acetamide

N-[4-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]cyclohexyl]-2-[4-(trifluoromethyl)phenoxy]acetamide (PubChem CID 147640243) has the molecular formula C25H25F6NO4 and a molecular weight of 517.47 g/mol. Its IUPAC name is N-[4-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]cyclohexyl]-2-[4-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[4-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]cyclohexyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
PubChem CID147640243
Molecular FormulaC25H25F6NO4
Molecular Weight517.47 g/mol
Exact Mass517.17
IUPAC NameN-[4-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]cyclohexyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1ccc(C(F)(F)F)cc1)CC1CCC(NC(=O)COc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C25H25F6NO4/c26-24(27,28)17-3-9-21(10-4-17)35-14-20(33)13-16-1-7-19(8-2-16)32-23(34)15-36-22-11-5-18(6-12-22)25(29,30)31/h3-6,9-12,16,19H,1-2,7-8,13-15H2,(H,32,34)
InChIKeyGHLVCLWQNWIRES-UHFFFAOYSA-N
XLogP5.82
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.47
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]cyclohexyl]-2-[4-(trifluoromethyl)phenoxy]acetamide with MolForge

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Related Compounds

2-(4-iodophenoxy)-N-[4-[3-(4-methylphenoxy)-2-oxopropyl]cyclohexyl]acetamide
CID 159066552
2-(4-chlorophenoxy)-N-[4-[3-(3,5-difluorophenoxy)-2-oxopropyl]cyclohexyl]acetamide
CID 149043391
N-[4-[2-oxo-3-[4-(2-trimethylsilylethynyl)phenoxy]propyl]cyclohexyl]-2-[4-(2-trimethylsilylethynyl)phenoxy]acetamide
CID 153167840
N-(1-benzylpiperidin-4-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 46488361
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 71939910
2-[4-chloro-3-[3-(trifluoromethyl)diazirin-3-yl]phenoxy]-N-[4-[3-(4-ethynylphenoxy)-2-oxopropyl]cyclohexyl]acetamide
CID 157410225
N-cyclopropyl-2-[4-[3-[[4-(trifluoromethyl)phenyl]methoxyimino]propyl]phenoxy]acetamide
CID 90021284
2-(4-chloro-3-nitrophenoxy)-N-[4-[3-(4-methylphenoxy)-2-oxopropyl]cyclohexyl]acetamide
CID 158031609
N-(4-aminocyclohexyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride
CID 119475585
2-(4-aminophenoxy)-N-(4-ethylcyclohexyl)acetamide
CID 61466103
N-[(8Z)-7-methylidene-3,4,5,6-tetrahydro-2H-azecin-3-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 118507134
N-(1-methylsulfonylpiperidin-3-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 47910347

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]cyclohexyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[4-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]cyclohexyl]-2-[4-(trifluoromethyl)phenoxy]acetamide (CID 147640243) is N-[4-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]cyclohexyl]-2-[4-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[4-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]cyclohexyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[4-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]cyclohexyl]-2-[4-(trifluoromethyl)phenoxy]acetamide is O=C(COc1ccc(C(F)(F)F)cc1)CC1CCC(NC(=O)COc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-[4-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]cyclohexyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is GHLVCLWQNWIRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F6NO4/c26-24(27,28)17-3-9-21(10-4-17)35-14-20(33)13-16-1-7-19(8-2-16)32-23(34)15-36-22-11-5-18(6-12-22)25(29,30)31/h3-6,9-12,16,19H,1-2,7-8,13-15H2,(H,32,34).
What are the key properties of N-[4-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]cyclohexyl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
N-[4-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]cyclohexyl]-2-[4-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 517.47 g/mol, XLogP of 5.82, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-3-[4-(trifluoromethyl)phenoxy]propyl]cyclohexyl]-2-[4-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 147640243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).