3-cyclohexyl-N-[(4-fluorophenyl)methyl]propanamide

C16H22FNO — CID 803650

IUPAC3-cyclohexyl-N-[(4-fluorophenyl)methyl]propanamide
SMILESO=C(CCC1CCCCC1)NCc1ccc(F)cc1
InChIInChI=1S/C16H22FNO/c17-15-9-6-14(7-10-15)12-18-16(19)11-8-13-4-2-1-3-5-13/h6-7,9-10,13H,1-5,8,11-12H2,(H,18,19)
InChIKeyRLQOUSSZQDLHLJ-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.80
Rot. Bonds5

About 3-cyclohexyl-N-[(4-fluorophenyl)methyl]propanamide

3-cyclohexyl-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 803650) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-cyclohexyl-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID803650
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name3-cyclohexyl-N-[(4-fluorophenyl)methyl]propanamide
SMILESO=C(CCC1CCCCC1)NCc1ccc(F)cc1
InChIInChI=1S/C16H22FNO/c17-15-9-6-14(7-10-15)12-18-16(19)11-8-13-4-2-1-3-5-13/h6-7,9-10,13H,1-5,8,11-12H2,(H,18,19)
InChIKeyRLQOUSSZQDLHLJ-UHFFFAOYSA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-(chloromethyl)phenyl]methyl]-3-cyclopentylpropanamide
CID 107233470
3-cyclohexyl-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 2431253
4-[(3-cyclopentylpropanoylamino)methyl]benzenesulfonyl chloride
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N-[(4-butoxyphenyl)methyl]-3-cyclohexylpropanamide
CID 73253877
N-[(4-fluorophenyl)methyl]-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]propanamide
CID 45246303
3-cyclopentyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
CID 110888869
3-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 4794325
4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-prop-2-enylpiperidine-1-carboxamide
CID 26409623
4-[(4-cyclopentylbutanoylamino)methyl]benzoic acid
CID 119165577
4-cyclohexyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]butanamide
CID 24560673
N-[(4-fluorophenyl)methyl]-3-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide
CID 24817713
N-(4-fluorophenyl)-3-[3-[(4-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 53138066

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[(4-fluorophenyl)methyl]propanamide (CID 803650) is 3-cyclohexyl-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[(4-fluorophenyl)methyl]propanamide is O=C(CCC1CCCCC1)NCc1ccc(F)cc1.
What is the InChIKey of 3-cyclohexyl-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is RLQOUSSZQDLHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c17-15-9-6-14(7-10-15)12-18-16(19)11-8-13-4-2-1-3-5-13/h6-7,9-10,13H,1-5,8,11-12H2,(H,18,19).
What are the key properties of 3-cyclohexyl-N-[(4-fluorophenyl)methyl]propanamide?
3-cyclohexyl-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 263.36 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 803650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).