N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide

C17H21F4NO2 — CID 53345375

IUPACN-[4-fluoro-3-(trifluoromethyl)phenyl]-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide
SMILESCC1(C)CC(O)CC(C)(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)C1
InChIInChI=1S/C17H21F4NO2/c1-15(2)7-11(23)8-16(3,9-15)14(24)22-10-4-5-13(18)12(6-10)17(19,20)21/h4-6,11,23H,7-9H2,1-3H3,(H,22,24)
InChIKeySXZSUMZMHZTANJ-UHFFFAOYSA-N
MW347.35 g/mol
LogP4.36
Rot. Bonds2

About N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide

N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide (PubChem CID 53345375) has the molecular formula C17H21F4NO2 and a molecular weight of 347.35 g/mol. Its IUPAC name is N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide
PubChem CID53345375
Molecular FormulaC17H21F4NO2
Molecular Weight347.35 g/mol
Exact Mass347.15
IUPAC NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide
SMILESCC1(C)CC(O)CC(C)(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)C1
InChIInChI=1S/C17H21F4NO2/c1-15(2)7-11(23)8-16(3,9-15)14(24)22-10-4-5-13(18)12(6-10)17(19,20)21/h4-6,11,23H,7-9H2,1-3H3,(H,22,24)
InChIKeySXZSUMZMHZTANJ-UHFFFAOYSA-N
XLogP4.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,5R)-3,3,5-trimethyl-5-[[3-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol
CID 70681012
3-[(3,5-Dimethylphenyl)methyl]-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid
CID 2856969
9,9,9-trifluoro-8-hydroxy-N-(3-phenylphenyl)nonanamide
CID 44343045
3-[[(1R,5S)-5-hydroxy-1,3,3-trimethylcyclohexyl]methylamino]benzamide
CID 70683139
3,3,5-Trimethyl-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}cyclohexanecarboxylic acid
CID 3719380
(2S)-4,4,4-trifluoro-2-(2-hydroxyethyl)-N,2-diphenylbutanamide
CID 138964159
N-(5-fluoro-2-methylphenyl)-3-hydroxyadamantane-1-carboxamide
CID 3873265
cis-(1R,3S)-N-[3-(aminomethyl)phenyl]-3-(trifluoromethoxy)cyclohexane-1-carboxamide
CID 177664946
2-hydroxy-N-[3-(trifluoromethyl)phenyl]hexanamide
CID 20212492
N-(3,5-bis(trifluoromethyl)phenyl)-2-(cis-4-(2-hydroxy-3,3-dimethylbutylamino)cyclohexyl)acetamide
CID 44540017
3-[[3-Fluoro-5-(trifluoromethyl)anilino]methyl]-3,5,5-trimethylcyclohexan-1-ol
CID 53344797
N-(4-fluorophenyl)-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide
CID 53345141

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide?
The IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide (CID 53345375) is N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide is CC1(C)CC(O)CC(C)(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)C1.
What is the InChIKey of N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide?
The InChIKey is SXZSUMZMHZTANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F4NO2/c1-15(2)7-11(23)8-16(3,9-15)14(24)22-10-4-5-13(18)12(6-10)17(19,20)21/h4-6,11,23H,7-9H2,1-3H3,(H,22,24).
What are the key properties of N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide?
N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide has a molecular weight of 347.35 g/mol, XLogP of 4.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-hydroxy-1,3,3-trimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 53345375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).