2-phenoxy-N-[3-(trifluoromethyl)cyclohexyl]propanamide

C16H20F3NO2 — CID 86920505

IUPAC2-phenoxy-N-[3-(trifluoromethyl)cyclohexyl]propanamide
SMILESCC(Oc1ccccc1)C(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H20F3NO2/c1-11(22-14-8-3-2-4-9-14)15(21)20-13-7-5-6-12(10-13)16(17,18)19/h2-4,8-9,11-13H,5-7,10H2,1H3,(H,20,21)
InChIKeyIVZRUZDEVNWFBP-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.69
Rot. Bonds4

About 2-phenoxy-N-[3-(trifluoromethyl)cyclohexyl]propanamide

2-phenoxy-N-[3-(trifluoromethyl)cyclohexyl]propanamide (PubChem CID 86920505) has the molecular formula C16H20F3NO2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-phenoxy-N-[3-(trifluoromethyl)cyclohexyl]propanamide.

Molecular Properties

Compound Name2-phenoxy-N-[3-(trifluoromethyl)cyclohexyl]propanamide
PubChem CID86920505
Molecular FormulaC16H20F3NO2
Molecular Weight315.33 g/mol
Exact Mass315.14
IUPAC Name2-phenoxy-N-[3-(trifluoromethyl)cyclohexyl]propanamide
SMILESCC(Oc1ccccc1)C(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C16H20F3NO2/c1-11(22-14-8-3-2-4-9-14)15(21)20-13-7-5-6-12(10-13)16(17,18)19/h2-4,8-9,11-13H,5-7,10H2,1H3,(H,20,21)
InChIKeyIVZRUZDEVNWFBP-UHFFFAOYSA-N
XLogP3.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
benzyl N-[(2S)-1-oxo-1-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]carbamate
CID 51887853
(2S)-N-cyclopentyl-2-(4-phenylphenoxy)propanamide
CID 7868566
N-cyclopropyl-2-(4-phenoxyphenoxy)propanamide
CID 4793506
[(1R,3S)-3-[[(2S)-2-phenoxypropanoyl]amino]cyclohexyl] N-(4-fluorophenyl)carbamate
CID 98766114
N-(2-methylpiperidin-4-yl)-2-phenoxypropanamide;hydrochloride
CID 120598370
4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43084651
N-cyclododecyl-2-(3-methylphenoxy)propanamide
CID 3912808
N-cyclooctyl-2-(3-methylphenoxy)propanamide
CID 2976571
1-phenylmethoxy-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 36969496
1-benzyl-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 32534298
1-(2-fluorophenyl)-3-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]urea
CID 32534093

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[3-(trifluoromethyl)cyclohexyl]propanamide?
The IUPAC name of 2-phenoxy-N-[3-(trifluoromethyl)cyclohexyl]propanamide (CID 86920505) is 2-phenoxy-N-[3-(trifluoromethyl)cyclohexyl]propanamide.
What is the SMILES notation for 2-phenoxy-N-[3-(trifluoromethyl)cyclohexyl]propanamide?
The canonical SMILES for 2-phenoxy-N-[3-(trifluoromethyl)cyclohexyl]propanamide is CC(Oc1ccccc1)C(=O)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-phenoxy-N-[3-(trifluoromethyl)cyclohexyl]propanamide?
The InChIKey is IVZRUZDEVNWFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO2/c1-11(22-14-8-3-2-4-9-14)15(21)20-13-7-5-6-12(10-13)16(17,18)19/h2-4,8-9,11-13H,5-7,10H2,1H3,(H,20,21).
What are the key properties of 2-phenoxy-N-[3-(trifluoromethyl)cyclohexyl]propanamide?
2-phenoxy-N-[3-(trifluoromethyl)cyclohexyl]propanamide has a molecular weight of 315.33 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[3-(trifluoromethyl)cyclohexyl]propanamide is sourced from PubChem (CID 86920505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).