N-[1-(4-fluorophenyl)ethyl]cyclohexanecarboxamide

C15H20FNO — CID 46763137

IUPACN-[1-(4-fluorophenyl)ethyl]cyclohexanecarboxamide
SMILESCC(NC(=O)C1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C15H20FNO/c1-11(12-7-9-14(16)10-8-12)17-15(18)13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,17,18)
InChIKeyYJMJQHLUFINYFV-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.58
Rot. Bonds3

About N-[1-(4-fluorophenyl)ethyl]cyclohexanecarboxamide

N-[1-(4-fluorophenyl)ethyl]cyclohexanecarboxamide (PubChem CID 46763137) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]cyclohexanecarboxamide
PubChem CID46763137
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC NameN-[1-(4-fluorophenyl)ethyl]cyclohexanecarboxamide
SMILESCC(NC(=O)C1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C15H20FNO/c1-11(12-7-9-14(16)10-8-12)17-15(18)13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,17,18)
InChIKeyYJMJQHLUFINYFV-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783147
(3R)-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 81139962
3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81349509
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohexanecarboxamide
CID 42951882
[4-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexyl]carbamic acid
CID 67223877
N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]cycloheptanecarboxamide
CID 58417527
N-[(1S)-1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81350122
N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]cyclobutanecarboxamide
CID 34483284
(2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 75495928
3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81350102
N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutanecarboxamide
CID 800129
N-[(1S)-1-(4-chlorophenyl)ethyl]cyclohexanecarboxamide;2,2,2-trifluoroacetic acid
CID 158533764

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]cyclohexanecarboxamide (CID 46763137) is N-[1-(4-fluorophenyl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]cyclohexanecarboxamide is CC(NC(=O)C1CCCCC1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]cyclohexanecarboxamide?
The InChIKey is YJMJQHLUFINYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-11(12-7-9-14(16)10-8-12)17-15(18)13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,17,18).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]cyclohexanecarboxamide?
N-[1-(4-fluorophenyl)ethyl]cyclohexanecarboxamide has a molecular weight of 249.33 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 46763137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).