N-(4-fluorophenyl)cyclohexanecarboxamide

C13H16FNO — CID 531817

IUPACN-(4-fluorophenyl)cyclohexanecarboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C13H16FNO/c14-11-6-8-12(9-7-11)15-13(16)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,15,16)
InChIKeyRQMDSCPCNJHYJL-UHFFFAOYSA-N
MW221.28 g/mol
LogP3.34
Rot. Bonds2

About N-(4-fluorophenyl)cyclohexanecarboxamide

N-(4-fluorophenyl)cyclohexanecarboxamide (PubChem CID 531817) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is N-(4-fluorophenyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)cyclohexanecarboxamide
PubChem CID531817
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC NameN-(4-fluorophenyl)cyclohexanecarboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C13H16FNO/c14-11-6-8-12(9-7-11)15-13(16)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,15,16)
InChIKeyRQMDSCPCNJHYJL-UHFFFAOYSA-N
XLogP3.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)cyclohexanecarboxamide?
The IUPAC name of N-(4-fluorophenyl)cyclohexanecarboxamide (CID 531817) is N-(4-fluorophenyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(4-fluorophenyl)cyclohexanecarboxamide?
The canonical SMILES for N-(4-fluorophenyl)cyclohexanecarboxamide is O=C(Nc1ccc(F)cc1)C1CCCCC1.
What is the InChIKey of N-(4-fluorophenyl)cyclohexanecarboxamide?
The InChIKey is RQMDSCPCNJHYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c14-11-6-8-12(9-7-11)15-13(16)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,15,16).
What are the key properties of N-(4-fluorophenyl)cyclohexanecarboxamide?
N-(4-fluorophenyl)cyclohexanecarboxamide has a molecular weight of 221.28 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)cyclohexanecarboxamide is sourced from PubChem (CID 531817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).