1-[2-[cyclohexyl(methyl)amino]-5-fluorophenyl]ethanone

C15H20FNO — CID 43176961

IUPAC1-[2-[cyclohexyl(methyl)amino]-5-fluorophenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1N(C)C1CCCCC1
InChIInChI=1S/C15H20FNO/c1-11(18)14-10-12(16)8-9-15(14)17(2)13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3
InChIKeyUQWFIRWDLWONPR-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.80
Rot. Bonds3

About 1-[2-[cyclohexyl(methyl)amino]-5-fluorophenyl]ethanone

1-[2-[cyclohexyl(methyl)amino]-5-fluorophenyl]ethanone (PubChem CID 43176961) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 1-[2-[cyclohexyl(methyl)amino]-5-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-[cyclohexyl(methyl)amino]-5-fluorophenyl]ethanone
PubChem CID43176961
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name1-[2-[cyclohexyl(methyl)amino]-5-fluorophenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1N(C)C1CCCCC1
InChIInChI=1S/C15H20FNO/c1-11(18)14-10-12(16)8-9-15(14)17(2)13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3
InChIKeyUQWFIRWDLWONPR-UHFFFAOYSA-N
XLogP3.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cycloheptyl(methyl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004469
1-[2-[(1,1-dioxothiolan-3-yl)-methylamino]-5-fluorophenyl]ethanone
CID 43424232
1-[2-[cyclohexyl(methyl)amino]phenyl]ethanone
CID 43176964
1-[2-[cycloheptyl(methyl)amino]-5-fluorophenyl]ethanol
CID 43614231
2-[cycloheptyl(methyl)amino]-5-fluorobenzonitrile
CID 63667669
2-[(tert-butylamino)methyl]-N-cyclohexyl-4-fluoro-N-methylaniline
CID 63551513
5-fluoro-2-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide
CID 63669170
N-cyclohexyl-2-[cyclopropyl(methyl)amino]-N-methylbenzamide
CID 174458205
4-[cyclohexyl(methyl)amino]-2,3-difluorobenzenecarbothioamide
CID 107934411
N-cycloheptyl-4-fluoro-N,2-dimethylbenzamide
CID 113268593
2-[(4-ethylcyclohexyl)-methylamino]-5-fluorobenzenecarbothioamide
CID 63673867
4-(2,4-difluoro-N-methylanilino)cyclohexane-1-carboxylic acid
CID 115149069

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclohexyl(methyl)amino]-5-fluorophenyl]ethanone?
The IUPAC name of 1-[2-[cyclohexyl(methyl)amino]-5-fluorophenyl]ethanone (CID 43176961) is 1-[2-[cyclohexyl(methyl)amino]-5-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-[cyclohexyl(methyl)amino]-5-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-[cyclohexyl(methyl)amino]-5-fluorophenyl]ethanone is CC(=O)c1cc(F)ccc1N(C)C1CCCCC1.
What is the InChIKey of 1-[2-[cyclohexyl(methyl)amino]-5-fluorophenyl]ethanone?
The InChIKey is UQWFIRWDLWONPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-11(18)14-10-12(16)8-9-15(14)17(2)13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3.
What are the key properties of 1-[2-[cyclohexyl(methyl)amino]-5-fluorophenyl]ethanone?
1-[2-[cyclohexyl(methyl)amino]-5-fluorophenyl]ethanone has a molecular weight of 249.33 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclohexyl(methyl)amino]-5-fluorophenyl]ethanone is sourced from PubChem (CID 43176961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).