N-cyclohexyl-2,3,4,5,6-pentafluorobenzamide

C13H12F5NO — CID 607051

IUPACN-cyclohexyl-2,3,4,5,6-pentafluorobenzamide
SMILESO=C(NC1CCCCC1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H12F5NO/c14-8-7(9(15)11(17)12(18)10(8)16)13(20)19-6-4-2-1-3-5-6/h6H,1-5H2,(H,19,20)
InChIKeyMGIHIDDHWGQPNY-UHFFFAOYSA-N
MW293.24 g/mol
LogP3.44
Rot. Bonds2

About N-cyclohexyl-2,3,4,5,6-pentafluorobenzamide

N-cyclohexyl-2,3,4,5,6-pentafluorobenzamide (PubChem CID 607051) has the molecular formula C13H12F5NO and a molecular weight of 293.24 g/mol. Its IUPAC name is N-cyclohexyl-2,3,4,5,6-pentafluorobenzamide.

Molecular Properties

Compound NameN-cyclohexyl-2,3,4,5,6-pentafluorobenzamide
PubChem CID607051
Molecular FormulaC13H12F5NO
Molecular Weight293.24 g/mol
Exact Mass293.08
IUPAC NameN-cyclohexyl-2,3,4,5,6-pentafluorobenzamide
SMILESO=C(NC1CCCCC1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C13H12F5NO/c14-8-7(9(15)11(17)12(18)10(8)16)13(20)19-6-4-2-1-3-5-6/h6H,1-5H2,(H,19,20)
InChIKeyMGIHIDDHWGQPNY-UHFFFAOYSA-N
XLogP3.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

2,3,4,5,6-pentafluoro-N-[(3S)-piperidin-3-yl]benzamide
CID 104982388
N-cyclohexyl-2,3-difluoro-5,6-diiodo-4-methylbenzamide
CID 137427140
2,3,4,5,6-pentafluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 102739213
N-cyclooctyl-2-fluoro-6-hydroxybenzamide
CID 107015091
3-amino-N-cyclopentyl-2,6-difluorobenzamide
CID 79768023
N-cycloheptyl-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide
CID 7467421
N-cyclohexyl-2,6-bis(trifluoromethyl)benzamide
CID 164895040
N-cyclohexyl-2-fluoropyridine-4-carboxamide
CID 59355741
N-cycloheptyl-2-fluoro-3-methylbenzamide
CID 80719060
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2,3,4,5,6-pentafluorobenzamide
CID 10346554
N-cyclohexyl-3,4-difluoro-2,5-dimethylbenzamide
CID 17067316
N-cyclopentyl-2-fluoro-4-hydroxy-6-methylbenzamide
CID 171905657

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,3,4,5,6-pentafluorobenzamide?
The IUPAC name of N-cyclohexyl-2,3,4,5,6-pentafluorobenzamide (CID 607051) is N-cyclohexyl-2,3,4,5,6-pentafluorobenzamide.
What is the SMILES notation for N-cyclohexyl-2,3,4,5,6-pentafluorobenzamide?
The canonical SMILES for N-cyclohexyl-2,3,4,5,6-pentafluorobenzamide is O=C(NC1CCCCC1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-cyclohexyl-2,3,4,5,6-pentafluorobenzamide?
The InChIKey is MGIHIDDHWGQPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F5NO/c14-8-7(9(15)11(17)12(18)10(8)16)13(20)19-6-4-2-1-3-5-6/h6H,1-5H2,(H,19,20).
What are the key properties of N-cyclohexyl-2,3,4,5,6-pentafluorobenzamide?
N-cyclohexyl-2,3,4,5,6-pentafluorobenzamide has a molecular weight of 293.24 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,3,4,5,6-pentafluorobenzamide is sourced from PubChem (CID 607051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).