1-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide

C15H20FNO — CID 23027176

IUPAC1-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
SMILESCC(c1ccc(F)cc1)C1(C(N)=O)CCCCC1
InChIInChI=1S/C15H20FNO/c1-11(12-5-7-13(16)8-6-12)15(14(17)18)9-3-2-4-10-15/h5-8,11H,2-4,9-10H2,1H3,(H2,17,18)
InChIKeyKOAOFCXBXBXORZ-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.37
Rot. Bonds3

About 1-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide

1-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide (PubChem CID 23027176) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
PubChem CID23027176
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name1-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
SMILESCC(c1ccc(F)cc1)C1(C(N)=O)CCCCC1
InChIInChI=1S/C15H20FNO/c1-11(12-5-7-13(16)8-6-12)15(14(17)18)9-3-2-4-10-15/h5-8,11H,2-4,9-10H2,1H3,(H2,17,18)
InChIKeyKOAOFCXBXBXORZ-UHFFFAOYSA-N
XLogP3.37
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide (CID 23027176) is 1-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide is CC(c1ccc(F)cc1)C1(C(N)=O)CCCCC1.
What is the InChIKey of 1-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is KOAOFCXBXBXORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-11(12-5-7-13(16)8-6-12)15(14(17)18)9-3-2-4-10-15/h5-8,11H,2-4,9-10H2,1H3,(H2,17,18).
What are the key properties of 1-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
1-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 249.33 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 23027176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).