1-(2,5-dimethylphenyl)-2-(N-ethyl-4-fluoroanilino)ethanone

C18H20FNO — CID 63566838

IUPAC1-(2,5-dimethylphenyl)-2-(N-ethyl-4-fluoroanilino)ethanone
SMILESCCN(CC(=O)c1cc(C)ccc1C)c1ccc(F)cc1
InChIInChI=1S/C18H20FNO/c1-4-20(16-9-7-15(19)8-10-16)12-18(21)17-11-13(2)5-6-14(17)3/h5-11H,4,12H2,1-3H3
InChIKeyOOXDBCVIIGYFFL-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.15
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-2-(N-ethyl-4-fluoroanilino)ethanone

1-(2,5-dimethylphenyl)-2-(N-ethyl-4-fluoroanilino)ethanone (PubChem CID 63566838) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-(N-ethyl-4-fluoroanilino)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-(N-ethyl-4-fluoroanilino)ethanone
PubChem CID63566838
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name1-(2,5-dimethylphenyl)-2-(N-ethyl-4-fluoroanilino)ethanone
SMILESCCN(CC(=O)c1cc(C)ccc1C)c1ccc(F)cc1
InChIInChI=1S/C18H20FNO/c1-4-20(16-9-7-15(19)8-10-16)12-18(21)17-11-13(2)5-6-14(17)3/h5-11H,4,12H2,1-3H3
InChIKeyOOXDBCVIIGYFFL-UHFFFAOYSA-N
XLogP4.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-2-(N-ethylanilino)ethanone
CID 21420194
2-(N-ethyl-3-methylanilino)-1-(2-methylphenyl)ethanone
CID 61102989
1-(2,5-dimethylphenyl)-2-(4-fluoroanilino)ethanone
CID 82120744
1-(4-bromophenyl)-2-(N-ethyl-4-fluoroanilino)ethanone
CID 63566302
1-(2,5-dimethylphenyl)-2-[ethyl(2-ethylbutyl)amino]ethanone
CID 63565743
2-[[2-(2,5-dimethylphenyl)-2-oxoethyl]-methylamino]acetic acid
CID 82476152
N,N-diethyl-4-fluoroaniline
CID 592416
1-(2,5-dimethylphenyl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone
CID 63964640
1-(2,5-dimethylphenyl)-2-[ethyl(2-methylbutyl)amino]ethanone
CID 79476690
2-chloro-1-(2,5-dimethylphenyl)ethanone
CID 2363693
2-(N-ethyl-4-methylanilino)-1-(4-methylsulfanylphenyl)ethanone
CID 63567726
1-(2,5-dimethylphenyl)-2-[methyl(pentan-2-yl)amino]ethanone
CID 43796904

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-(N-ethyl-4-fluoroanilino)ethanone?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-(N-ethyl-4-fluoroanilino)ethanone (CID 63566838) is 1-(2,5-dimethylphenyl)-2-(N-ethyl-4-fluoroanilino)ethanone.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-(N-ethyl-4-fluoroanilino)ethanone?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-(N-ethyl-4-fluoroanilino)ethanone is CCN(CC(=O)c1cc(C)ccc1C)c1ccc(F)cc1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-(N-ethyl-4-fluoroanilino)ethanone?
The InChIKey is OOXDBCVIIGYFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-4-20(16-9-7-15(19)8-10-16)12-18(21)17-11-13(2)5-6-14(17)3/h5-11H,4,12H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-(N-ethyl-4-fluoroanilino)ethanone?
1-(2,5-dimethylphenyl)-2-(N-ethyl-4-fluoroanilino)ethanone has a molecular weight of 285.36 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-(N-ethyl-4-fluoroanilino)ethanone is sourced from PubChem (CID 63566838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).