2-(hydroxymethyl)-1-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide

C15H18F3NO2 — CID 90943267

IUPAC2-(hydroxymethyl)-1-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
SMILESNC(=O)C1(c2ccc(C(F)(F)F)cc2)CCCCC1CO
InChIInChI=1S/C15H18F3NO2/c16-15(17,18)11-6-4-10(5-7-11)14(13(19)21)8-2-1-3-12(14)9-20/h4-7,12,20H,1-3,8-9H2,(H2,19,21)
InChIKeyGMSPOEXSYBCVDT-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.61
Rot. Bonds3

About 2-(hydroxymethyl)-1-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide

2-(hydroxymethyl)-1-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide (PubChem CID 90943267) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-(hydroxymethyl)-1-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-1-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
PubChem CID90943267
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name2-(hydroxymethyl)-1-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
SMILESNC(=O)C1(c2ccc(C(F)(F)F)cc2)CCCCC1CO
InChIInChI=1S/C15H18F3NO2/c16-15(17,18)11-6-4-10(5-7-11)14(13(19)21)8-2-1-3-12(14)9-20/h4-7,12,20H,1-3,8-9H2,(H2,19,21)
InChIKeyGMSPOEXSYBCVDT-UHFFFAOYSA-N
XLogP2.61
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Hydroxy-1-phenylcyclobutane-1-carboxamide
CID 131324650
1-[(2R,4S)-2-carbamoyl-4-hydroxy-6-phenylhexyl]-4,4-difluorocyclohexane-1-carboxamide
CID 21345568
2-(4-Fluorophenyl)-4-hydroxybutanamide
CID 22013235
2-[2-Hydroxy-4-[2-(trifluoromethyl)phenyl]butyl]-5-methylhexanediamide
CID 22452323
2-(4,4-difluorocyclohexyl)-6-(4-fluorophenyl)-N,4-dihydroxyhexanamide
CID 22452521
1-[4-(Trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 23027311
(2R)-2-(4-fluorophenyl)-4-hydroxybutanamide
CID 54203349
(2S)-2-(4-fluorophenyl)-4-hydroxybutanamide
CID 54203350
5-Hydroxy-3-(4-trifluoromethylphenyl)pentanoic acid amide
CID 66618887
5-Hydroxy-3-(2-trifluoromethylphenyl)pentanoic acid amide
CID 66618968
4-(2,4-Difluorophenyl)oxane-4-carboxamide
CID 67504701
4-Amino-4-oxo-3-[4-[4-(trifluoromethyl)phenyl]phenyl]butanoic acid
CID 68837293

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-1-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-1-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide (CID 90943267) is 2-(hydroxymethyl)-1-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-1-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-1-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide is NC(=O)C1(c2ccc(C(F)(F)F)cc2)CCCCC1CO.
What is the InChIKey of 2-(hydroxymethyl)-1-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is GMSPOEXSYBCVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2/c16-15(17,18)11-6-4-10(5-7-11)14(13(19)21)8-2-1-3-12(14)9-20/h4-7,12,20H,1-3,8-9H2,(H2,19,21).
What are the key properties of 2-(hydroxymethyl)-1-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
2-(hydroxymethyl)-1-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 301.31 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-1-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 90943267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).