N-(4-hydroxy-4-phenylcyclohexyl)-2-[4-(trifluoromethoxy)phenyl]acetamide

C21H22F3NO3 — CID 154861590

IUPACN-(4-hydroxy-4-phenylcyclohexyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cc1ccc(OC(F)(F)F)cc1)NC1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C21H22F3NO3/c22-21(23,24)28-18-8-6-15(7-9-18)14-19(26)25-17-10-12-20(27,13-11-17)16-4-2-1-3-5-16/h1-9,17,27H,10-14H2,(H,25,26)
InChIKeyCGHGBIAKIBKMMP-UHFFFAOYSA-N
MW393.41 g/mol
LogP4.07
Rot. Bonds5

About N-(4-hydroxy-4-phenylcyclohexyl)-2-[4-(trifluoromethoxy)phenyl]acetamide

N-(4-hydroxy-4-phenylcyclohexyl)-2-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 154861590) has the molecular formula C21H22F3NO3 and a molecular weight of 393.41 g/mol. Its IUPAC name is N-(4-hydroxy-4-phenylcyclohexyl)-2-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-(4-hydroxy-4-phenylcyclohexyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID154861590
Molecular FormulaC21H22F3NO3
Molecular Weight393.41 g/mol
Exact Mass393.16
IUPAC NameN-(4-hydroxy-4-phenylcyclohexyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cc1ccc(OC(F)(F)F)cc1)NC1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C21H22F3NO3/c22-21(23,24)28-18-8-6-15(7-9-18)14-19(26)25-17-10-12-20(27,13-11-17)16-4-2-1-3-5-16/h1-9,17,27H,10-14H2,(H,25,26)
InChIKeyCGHGBIAKIBKMMP-UHFFFAOYSA-N
XLogP4.07
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-phenylacetamide
CID 5175687
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 94794742
1-[4-(trifluoromethoxy)phenyl]cyclopropan-1-ol
CID 130058643
N-[(1-hydroxycyclopentyl)methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 111331191
1-(cyclopentylamino)-3-[4-(trifluoromethoxy)phenyl]propan-2-one
CID 116558957
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 53203526
N-cyclopropyl-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]acetamide
CID 51076389
1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 62620228
N-[(1S,3S)-3-[2-(3-chlorophenyl)ethynyl]-3-hydroxycyclohexyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 142763691
N-[2-(4,5-dimethoxy-2-methylbenzoyl)-2-azaspiro[3.5]nonan-7-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 171685693
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876
N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 91631718

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-4-phenylcyclohexyl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-(4-hydroxy-4-phenylcyclohexyl)-2-[4-(trifluoromethoxy)phenyl]acetamide (CID 154861590) is N-(4-hydroxy-4-phenylcyclohexyl)-2-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-(4-hydroxy-4-phenylcyclohexyl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-(4-hydroxy-4-phenylcyclohexyl)-2-[4-(trifluoromethoxy)phenyl]acetamide is O=C(Cc1ccc(OC(F)(F)F)cc1)NC1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of N-(4-hydroxy-4-phenylcyclohexyl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is CGHGBIAKIBKMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3NO3/c22-21(23,24)28-18-8-6-15(7-9-18)14-19(26)25-17-10-12-20(27,13-11-17)16-4-2-1-3-5-16/h1-9,17,27H,10-14H2,(H,25,26).
What are the key properties of N-(4-hydroxy-4-phenylcyclohexyl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
N-(4-hydroxy-4-phenylcyclohexyl)-2-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 393.41 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-4-phenylcyclohexyl)-2-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 154861590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).