2-(4-fluorophenoxy)-N-[2-(trifluoromethyl)cyclohexyl]propanamide

C16H19F4NO2 — CID 43046803

IUPAC2-(4-fluorophenoxy)-N-[2-(trifluoromethyl)cyclohexyl]propanamide
SMILESCC(Oc1ccc(F)cc1)C(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C16H19F4NO2/c1-10(23-12-8-6-11(17)7-9-12)15(22)21-14-5-3-2-4-13(14)16(18,19)20/h6-10,13-14H,2-5H2,1H3,(H,21,22)
InChIKeyBCNMANCLKGXUMF-UHFFFAOYSA-N
MW333.32 g/mol
LogP3.83
Rot. Bonds4

About 2-(4-fluorophenoxy)-N-[2-(trifluoromethyl)cyclohexyl]propanamide

2-(4-fluorophenoxy)-N-[2-(trifluoromethyl)cyclohexyl]propanamide (PubChem CID 43046803) has the molecular formula C16H19F4NO2 and a molecular weight of 333.32 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[2-(trifluoromethyl)cyclohexyl]propanamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[2-(trifluoromethyl)cyclohexyl]propanamide
PubChem CID43046803
Molecular FormulaC16H19F4NO2
Molecular Weight333.32 g/mol
Exact Mass333.14
IUPAC Name2-(4-fluorophenoxy)-N-[2-(trifluoromethyl)cyclohexyl]propanamide
SMILESCC(Oc1ccc(F)cc1)C(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C16H19F4NO2/c1-10(23-12-8-6-11(17)7-9-12)15(22)21-14-5-3-2-4-13(14)16(18,19)20/h6-10,13-14H,2-5H2,1H3,(H,21,22)
InChIKeyBCNMANCLKGXUMF-UHFFFAOYSA-N
XLogP3.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenoxy)-N-(2-methylcyclohexyl)propanamide
CID 42901999
N-cyclooctyl-2-(4-fluorophenoxy)propanamide
CID 42909316
2-(4-fluorophenoxy)-N-(2-pyrrolidin-1-ylcyclohexyl)propanamide
CID 57311087
N-cyclohexyl-2-[4-(4-fluorobenzoyl)phenoxy]propanamide
CID 4817669
(2S)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-fluorophenoxy)propanamide
CID 98112246
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate
CID 8935817
(2R)-N-(cyclohexylcarbamoyl)-2-(4-fluorophenoxy)propanamide
CID 7817937
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate
CID 8935810
2-(4-fluorophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 25236761
(2R)-2-(4-fluorophenoxy)-N-propan-2-ylpropanamide
CID 94335659
N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(4-fluorophenoxy)propanamide
CID 51127399
2-[2-(4-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 64812015

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[2-(trifluoromethyl)cyclohexyl]propanamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[2-(trifluoromethyl)cyclohexyl]propanamide (CID 43046803) is 2-(4-fluorophenoxy)-N-[2-(trifluoromethyl)cyclohexyl]propanamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[2-(trifluoromethyl)cyclohexyl]propanamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[2-(trifluoromethyl)cyclohexyl]propanamide is CC(Oc1ccc(F)cc1)C(=O)NC1CCCCC1C(F)(F)F.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[2-(trifluoromethyl)cyclohexyl]propanamide?
The InChIKey is BCNMANCLKGXUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F4NO2/c1-10(23-12-8-6-11(17)7-9-12)15(22)21-14-5-3-2-4-13(14)16(18,19)20/h6-10,13-14H,2-5H2,1H3,(H,21,22).
What are the key properties of 2-(4-fluorophenoxy)-N-[2-(trifluoromethyl)cyclohexyl]propanamide?
2-(4-fluorophenoxy)-N-[2-(trifluoromethyl)cyclohexyl]propanamide has a molecular weight of 333.32 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[2-(trifluoromethyl)cyclohexyl]propanamide is sourced from PubChem (CID 43046803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).