1-(4-fluorophenyl)-N-(4-phenylbutyl)cyclohexane-1-carboxamide

C23H28FNO — CID 58842299

IUPAC1-(4-fluorophenyl)-N-(4-phenylbutyl)cyclohexane-1-carboxamide
SMILESO=C(NCCCCc1ccccc1)C1(c2ccc(F)cc2)CCCCC1
InChIInChI=1S/C23H28FNO/c24-21-14-12-20(13-15-21)23(16-6-2-7-17-23)22(26)25-18-8-5-11-19-9-3-1-4-10-19/h1,3-4,9-10,12-15H,2,5-8,11,16-18H2,(H,25,26)
InChIKeyVWUZTSRYFGTURL-UHFFFAOYSA-N
MW353.48 g/mol
LogP5.17
Rot. Bonds7

About 1-(4-fluorophenyl)-N-(4-phenylbutyl)cyclohexane-1-carboxamide

1-(4-fluorophenyl)-N-(4-phenylbutyl)cyclohexane-1-carboxamide (PubChem CID 58842299) has the molecular formula C23H28FNO and a molecular weight of 353.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(4-phenylbutyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(4-phenylbutyl)cyclohexane-1-carboxamide
PubChem CID58842299
Molecular FormulaC23H28FNO
Molecular Weight353.48 g/mol
Exact Mass353.22
IUPAC Name1-(4-fluorophenyl)-N-(4-phenylbutyl)cyclohexane-1-carboxamide
SMILESO=C(NCCCCc1ccccc1)C1(c2ccc(F)cc2)CCCCC1
InChIInChI=1S/C23H28FNO/c24-21-14-12-20(13-15-21)23(16-6-2-7-17-23)22(26)25-18-8-5-11-19-9-3-1-4-10-19/h1,3-4,9-10,12-15H,2,5-8,11,16-18H2,(H,25,26)
InChIKeyVWUZTSRYFGTURL-UHFFFAOYSA-N
XLogP5.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.48
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 119549251
N-(2-aminoethyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119384814
1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 71885829
N-(6-aminohexyl)-1-phenylcyclopentane-1-carboxamide;hydrochloride
CID 142770343
1-(4-fluorophenyl)-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 112537817
1-[4-(2,2-dimethylpropanoylamino)phenyl]-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 20972775
N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 2540117
1-(4-fluorophenyl)-N-(2-phenoxyethyl)cyclopropane-1-carboxamide
CID 32935327
1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide
CID 51155660
1-(4-fluorophenyl)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 60556255
N-[2-(4-methoxyphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 4682158
4-[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]butanoic acid
CID 119128032

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(4-phenylbutyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(4-phenylbutyl)cyclohexane-1-carboxamide (CID 58842299) is 1-(4-fluorophenyl)-N-(4-phenylbutyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(4-phenylbutyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(4-phenylbutyl)cyclohexane-1-carboxamide is O=C(NCCCCc1ccccc1)C1(c2ccc(F)cc2)CCCCC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(4-phenylbutyl)cyclohexane-1-carboxamide?
The InChIKey is VWUZTSRYFGTURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FNO/c24-21-14-12-20(13-15-21)23(16-6-2-7-17-23)22(26)25-18-8-5-11-19-9-3-1-4-10-19/h1,3-4,9-10,12-15H,2,5-8,11,16-18H2,(H,25,26).
What are the key properties of 1-(4-fluorophenyl)-N-(4-phenylbutyl)cyclohexane-1-carboxamide?
1-(4-fluorophenyl)-N-(4-phenylbutyl)cyclohexane-1-carboxamide has a molecular weight of 353.48 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(4-phenylbutyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 58842299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).