1-(2,6-difluorophenyl)-2-[ethyl(2-ethylbutyl)amino]ethanone

C16H23F2NO — CID 61437544

IUPAC1-(2,6-difluorophenyl)-2-[ethyl(2-ethylbutyl)amino]ethanone
SMILESCCC(CC)CN(CC)CC(=O)c1c(F)cccc1F
InChIInChI=1S/C16H23F2NO/c1-4-12(5-2)10-19(6-3)11-15(20)16-13(17)8-7-9-14(16)18/h7-9,12H,4-6,10-11H2,1-3H3
InChIKeyLYZUDDLQPHGSIK-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.91
Rot. Bonds8

About 1-(2,6-difluorophenyl)-2-[ethyl(2-ethylbutyl)amino]ethanone

1-(2,6-difluorophenyl)-2-[ethyl(2-ethylbutyl)amino]ethanone (PubChem CID 61437544) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[ethyl(2-ethylbutyl)amino]ethanone.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[ethyl(2-ethylbutyl)amino]ethanone
PubChem CID61437544
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC Name1-(2,6-difluorophenyl)-2-[ethyl(2-ethylbutyl)amino]ethanone
SMILESCCC(CC)CN(CC)CC(=O)c1c(F)cccc1F
InChIInChI=1S/C16H23F2NO/c1-4-12(5-2)10-19(6-3)11-15(20)16-13(17)8-7-9-14(16)18/h7-9,12H,4-6,10-11H2,1-3H3
InChIKeyLYZUDDLQPHGSIK-UHFFFAOYSA-N
XLogP3.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,6-difluorophenyl)-2-[ethyl(2-ethylbutyl)amino]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-(2,6-difluorophenyl)-2-[methyl(pentan-3-yl)amino]ethanone
CID 43796826
1-(2,6-difluorophenyl)-2-[2-ethoxyethyl(ethyl)amino]ethanone
CID 63698278
2-(dibutylamino)-1-(2,6-difluorophenyl)ethanone
CID 43227933
2-[ethyl(2-ethylbutyl)amino]-1-(3-methoxyphenyl)ethanone
CID 61437442
2-[ethyl(2-methylpropyl)amino]-1-(3-fluorophenyl)ethanone
CID 43795891
1-(2,5-dimethylphenyl)-2-[ethyl(2-ethylbutyl)amino]ethanone
CID 63565743
N-[(2R)-1-[ethyl(2-ethylbutyl)amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 95597079
4-[[ethyl(2-ethylbutyl)amino]methyl]-2-fluorobenzoic acid
CID 106699154
1-(2,6-difluorophenyl)-2-[methyl(pentyl)amino]ethanone
CID 43796028
1-(2,6-difluorophenyl)-2-[(dimethylamino)methyl]butan-1-one
CID 67667335
2-amino-1-(2,6-difluorophenyl)ethanone;hydrochloride
CID 44717362
N-(2-amino-6-methylphenyl)-2-[ethyl(2-ethylbutyl)amino]acetamide
CID 43587408

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[ethyl(2-ethylbutyl)amino]ethanone?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[ethyl(2-ethylbutyl)amino]ethanone (CID 61437544) is 1-(2,6-difluorophenyl)-2-[ethyl(2-ethylbutyl)amino]ethanone.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[ethyl(2-ethylbutyl)amino]ethanone?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[ethyl(2-ethylbutyl)amino]ethanone is CCC(CC)CN(CC)CC(=O)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[ethyl(2-ethylbutyl)amino]ethanone?
The InChIKey is LYZUDDLQPHGSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-4-12(5-2)10-19(6-3)11-15(20)16-13(17)8-7-9-14(16)18/h7-9,12H,4-6,10-11H2,1-3H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-[ethyl(2-ethylbutyl)amino]ethanone?
1-(2,6-difluorophenyl)-2-[ethyl(2-ethylbutyl)amino]ethanone has a molecular weight of 283.36 g/mol, XLogP of 3.91, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-[ethyl(2-ethylbutyl)amino]ethanone is sourced from PubChem (CID 61437544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).