1-cyclohexyl-2-(3-fluoro-N-methylanilino)ethanone

C15H20FNO — CID 104750304

IUPAC1-cyclohexyl-2-(3-fluoro-N-methylanilino)ethanone
SMILESCN(CC(=O)C1CCCCC1)c1cccc(F)c1
InChIInChI=1S/C15H20FNO/c1-17(14-9-5-8-13(16)10-14)11-15(18)12-6-3-2-4-7-12/h5,8-10,12H,2-4,6-7,11H2,1H3
InChIKeyHKSRWMGWAJIOKC-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.41
Rot. Bonds4

About 1-cyclohexyl-2-(3-fluoro-N-methylanilino)ethanone

1-cyclohexyl-2-(3-fluoro-N-methylanilino)ethanone (PubChem CID 104750304) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 1-cyclohexyl-2-(3-fluoro-N-methylanilino)ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-(3-fluoro-N-methylanilino)ethanone
PubChem CID104750304
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name1-cyclohexyl-2-(3-fluoro-N-methylanilino)ethanone
SMILESCN(CC(=O)C1CCCCC1)c1cccc(F)c1
InChIInChI=1S/C15H20FNO/c1-17(14-9-5-8-13(16)10-14)11-15(18)12-6-3-2-4-7-12/h5,8-10,12H,2-4,6-7,11H2,1H3
InChIKeyHKSRWMGWAJIOKC-UHFFFAOYSA-N
XLogP3.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-cyclohexyl-2-(3-fluoro-N-methylanilino)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopentyl-2-(N-ethyl-3-fluoroanilino)ethanone
CID 104750265
1-cyclopentyl-2-(N,3-dimethylanilino)ethanone
CID 104750297
1-cyclohexyl-2-(N-methylanilino)ethanone
CID 12697074
1-(3-fluoro-N-methylanilino)butan-2-one
CID 62038249
N-cyclohexyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine
CID 55085371
cyclohexyl-(3-fluorophenyl)methanone
CID 24724195
2-[2-aminoethyl-[1-(3-fluorophenyl)ethylamino]amino]-1-cyclohexylethanone
CID 155442166
1-cyclopentyl-2-(N-ethyl-3-methylanilino)ethanone
CID 104750103
1-cyclopentyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine
CID 113448204
3-[(3-fluorophenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783681
1-cyclobutyl-2-(3-fluorophenyl)ethanone
CID 61078433
2-(3-fluoro-N-methylanilino)-1-(4-propan-2-ylphenyl)ethanone
CID 63568085

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(3-fluoro-N-methylanilino)ethanone?
The IUPAC name of 1-cyclohexyl-2-(3-fluoro-N-methylanilino)ethanone (CID 104750304) is 1-cyclohexyl-2-(3-fluoro-N-methylanilino)ethanone.
What is the SMILES notation for 1-cyclohexyl-2-(3-fluoro-N-methylanilino)ethanone?
The canonical SMILES for 1-cyclohexyl-2-(3-fluoro-N-methylanilino)ethanone is CN(CC(=O)C1CCCCC1)c1cccc(F)c1.
What is the InChIKey of 1-cyclohexyl-2-(3-fluoro-N-methylanilino)ethanone?
The InChIKey is HKSRWMGWAJIOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-17(14-9-5-8-13(16)10-14)11-15(18)12-6-3-2-4-7-12/h5,8-10,12H,2-4,6-7,11H2,1H3.
What are the key properties of 1-cyclohexyl-2-(3-fluoro-N-methylanilino)ethanone?
1-cyclohexyl-2-(3-fluoro-N-methylanilino)ethanone has a molecular weight of 249.33 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(3-fluoro-N-methylanilino)ethanone is sourced from PubChem (CID 104750304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).