2,3,4,5,6-pentafluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide

C13H12F5NO2 — CID 102739213

IUPAC2,3,4,5,6-pentafluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H12F5NO2/c14-8-7(9(15)11(17)12(18)10(8)16)13(21)19-5-3-1-2-4-6(5)20/h5-6,20H,1-4H2,(H,19,21)/t5-,6-/m1/s1
InChIKeyKQMOVNBNWSXYRL-PHDIDXHHSA-N
MW309.23 g/mol
LogP2.42
Rot. Bonds2

About 2,3,4,5,6-pentafluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide

2,3,4,5,6-pentafluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide (PubChem CID 102739213) has the molecular formula C13H12F5NO2 and a molecular weight of 309.23 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
PubChem CID102739213
Molecular FormulaC13H12F5NO2
Molecular Weight309.23 g/mol
Exact Mass309.08
IUPAC Name2,3,4,5,6-pentafluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H12F5NO2/c14-8-7(9(15)11(17)12(18)10(8)16)13(21)19-5-3-1-2-4-6(5)20/h5-6,20H,1-4H2,(H,19,21)/t5-,6-/m1/s1
InChIKeyKQMOVNBNWSXYRL-PHDIDXHHSA-N
XLogP2.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.23
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-6-hydroxy-N-(2-hydroxycyclohexyl)benzamide
CID 104920401
3,5-difluoro-N-(2-hydroxycyclohexyl)benzamide
CID 55063928
N-cyclohexyl-2,3,4,5,6-pentafluorobenzamide
CID 607051
N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,6-trimethylbenzamide
CID 104957100
N-[(1R,2R)-2-hydroxycyclohexyl]-2,6-dimethoxybenzamide
CID 104928008
3-bromo-2-fluoro-N-(2-hydroxycycloheptyl)benzamide
CID 107953230
3-fluoro-N-[(1R,2R)-2-hydroxycyclopentyl]benzamide
CID 40605325
2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-3-(trifluoromethyl)benzamide
CID 104956750
N-(2-hydroxycycloheptyl)-1,5-dimethylpyrrole-2-carboxamide
CID 113394900
N-(2-hydroxycyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 62360696
2-chloro-3-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 104956755
2-amino-5-fluoro-N-(2-hydroxycyclohexyl)benzamide
CID 62366282

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide (CID 102739213) is 2,3,4,5,6-pentafluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide is O=C(N[C@@H]1CCCC[C@H]1O)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide?
The InChIKey is KQMOVNBNWSXYRL-PHDIDXHHSA-N. The full InChI is InChI=1S/C13H12F5NO2/c14-8-7(9(15)11(17)12(18)10(8)16)13(21)19-5-3-1-2-4-6(5)20/h5-6,20H,1-4H2,(H,19,21)/t5-,6-/m1/s1.
What are the key properties of 2,3,4,5,6-pentafluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide?
2,3,4,5,6-pentafluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide has a molecular weight of 309.23 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide is sourced from PubChem (CID 102739213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).