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

C16H22FNO — CID 123258530

IUPAC4-ethyl-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
SMILESCCC1CCC(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FNO/c1-2-12-3-7-14(8-4-12)16(19)18-11-13-5-9-15(17)10-6-13/h5-6,9-10,12,14H,2-4,7-8,11H2,1H3,(H,18,19)
InChIKeyKUFNIERZDUNSRD-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.66
Rot. Bonds4

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

4-ethyl-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide (PubChem CID 123258530) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 4-ethyl-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
PubChem CID123258530
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name4-ethyl-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
SMILESCCC1CCC(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FNO/c1-2-12-3-7-14(8-4-12)16(19)18-11-13-5-9-15(17)10-6-13/h5-6,9-10,12,14H,2-4,7-8,11H2,1H3,(H,18,19)
InChIKeyKUFNIERZDUNSRD-UHFFFAOYSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide
CID 115151196
1-N-butyl-4-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109145063
4-N,4-N-diethyl-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148420
4-N-(4-ethylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148445
1-N-[(4-fluorophenyl)methyl]-4-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148415
N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985646
3-amino-N-[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119675799
N-[(4-fluorophenyl)methyl]-1-(2-hydroxybutyl)piperidine-4-carboxamide
CID 111544249
4-N-(2,6-dimethylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148442
3-amino-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 55146737
N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]cyclopentanecarboxamide
CID 156825046
N-[(4-fluorophenyl)methyl]-1-[2-(methylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 78902356

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-ethyl-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide (CID 123258530) is 4-ethyl-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-ethyl-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide is CCC1CCC(C(=O)NCc2ccc(F)cc2)CC1.
What is the InChIKey of 4-ethyl-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is KUFNIERZDUNSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-2-12-3-7-14(8-4-12)16(19)18-11-13-5-9-15(17)10-6-13/h5-6,9-10,12,14H,2-4,7-8,11H2,1H3,(H,18,19).
What are the key properties of 4-ethyl-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide?
4-ethyl-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 263.36 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 123258530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).