N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,3,3,3-pentafluoropropanamide

C15H13ClF5NO2 — CID 91743033

IUPACN-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,3,3,3-pentafluoropropanamide
SMILESO=C1CCCCC1(NC(=O)C(F)(F)C(F)(F)F)c1ccccc1Cl
InChIInChI=1S/C15H13ClF5NO2/c16-10-6-2-1-5-9(10)13(8-4-3-7-11(13)23)22-12(24)14(17,18)15(19,20)21/h1-2,5-6H,3-4,7-8H2,(H,22,24)
InChIKeyFZABMXSIMYLCHF-UHFFFAOYSA-N
MW369.72 g/mol
LogP3.99
Rot. Bonds3

About N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,3,3,3-pentafluoropropanamide

N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,3,3,3-pentafluoropropanamide (PubChem CID 91743033) has the molecular formula C15H13ClF5NO2 and a molecular weight of 369.72 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,3,3,3-pentafluoropropanamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,3,3,3-pentafluoropropanamide
PubChem CID91743033
Molecular FormulaC15H13ClF5NO2
Molecular Weight369.72 g/mol
Exact Mass369.06
IUPAC NameN-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,3,3,3-pentafluoropropanamide
SMILESO=C1CCCCC1(NC(=O)C(F)(F)C(F)(F)F)c1ccccc1Cl
InChIInChI=1S/C15H13ClF5NO2/c16-10-6-2-1-5-9(10)13(8-4-3-7-11(13)23)22-12(24)14(17,18)15(19,20)21/h1-2,5-6H,3-4,7-8H2,(H,22,24)
InChIKeyFZABMXSIMYLCHF-UHFFFAOYSA-N
XLogP3.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.72
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,3,3,3-pentafluoropropanamide?
The IUPAC name of N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,3,3,3-pentafluoropropanamide (CID 91743033) is N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,3,3,3-pentafluoropropanamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,3,3,3-pentafluoropropanamide?
The canonical SMILES for N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,3,3,3-pentafluoropropanamide is O=C1CCCCC1(NC(=O)C(F)(F)C(F)(F)F)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,3,3,3-pentafluoropropanamide?
The InChIKey is FZABMXSIMYLCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF5NO2/c16-10-6-2-1-5-9(10)13(8-4-3-7-11(13)23)22-12(24)14(17,18)15(19,20)21/h1-2,5-6H,3-4,7-8H2,(H,22,24).
What are the key properties of N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,3,3,3-pentafluoropropanamide?
N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,3,3,3-pentafluoropropanamide has a molecular weight of 369.72 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2,2,3,3,3-pentafluoropropanamide is sourced from PubChem (CID 91743033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).