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

C16H16FNO — CID 82120744

IUPAC1-(2,5-dimethylphenyl)-2-(4-fluoroanilino)ethanone
SMILESCc1ccc(C)c(C(=O)CNc2ccc(F)cc2)c1
InChIInChI=1S/C16H16FNO/c1-11-3-4-12(2)15(9-11)16(19)10-18-14-7-5-13(17)6-8-14/h3-9,18H,10H2,1-2H3
InChIKeyOSBRIKOQZPKEKR-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.74
Rot. Bonds4

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

1-(2,5-dimethylphenyl)-2-(4-fluoroanilino)ethanone (PubChem CID 82120744) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-(4-fluoroanilino)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-(4-fluoroanilino)ethanone
PubChem CID82120744
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name1-(2,5-dimethylphenyl)-2-(4-fluoroanilino)ethanone
SMILESCc1ccc(C)c(C(=O)CNc2ccc(F)cc2)c1
InChIInChI=1S/C16H16FNO/c1-11-3-4-12(2)15(9-11)16(19)10-18-14-7-5-13(17)6-8-14/h3-9,18H,10H2,1-2H3
InChIKeyOSBRIKOQZPKEKR-UHFFFAOYSA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-2-(4-methylanilino)ethanone
CID 82119914
2-(2,3-dimethylanilino)-1-(2,5-dimethylphenyl)ethanone
CID 82123131
1-(2,4-dimethylphenyl)-2-(4-ethylanilino)ethanone
CID 94278555
N-(2-bromo-4-methylphenyl)-2-(4-fluoroanilino)acetamide
CID 9098661
1-(2,5-dimethylphenyl)-2-(N-ethyl-4-fluoroanilino)ethanone
CID 63566838
2-chloro-1-(2,5-dimethylphenyl)ethanone
CID 2363693
1-(2,5-dimethylphenyl)-3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]propan-1-one
CID 110177830
N-(4-fluorophenyl)-5-methyl-2-(propylamino)benzamide
CID 62510349
2-(4-fluoroanilino)-1-(1H-indol-3-yl)ethanone
CID 110655257
2-(3,4-dimethylanilino)-1-(4-methylphenyl)ethanone
CID 82119902
2-fluoro-N-(4-fluorophenyl)-5-methylbenzamide
CID 62509352
(5R)-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 27141300

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-(4-fluoroanilino)ethanone?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-(4-fluoroanilino)ethanone (CID 82120744) is 1-(2,5-dimethylphenyl)-2-(4-fluoroanilino)ethanone.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-(4-fluoroanilino)ethanone?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-(4-fluoroanilino)ethanone is Cc1ccc(C)c(C(=O)CNc2ccc(F)cc2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-(4-fluoroanilino)ethanone?
The InChIKey is OSBRIKOQZPKEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-11-3-4-12(2)15(9-11)16(19)10-18-14-7-5-13(17)6-8-14/h3-9,18H,10H2,1-2H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-(4-fluoroanilino)ethanone?
1-(2,5-dimethylphenyl)-2-(4-fluoroanilino)ethanone has a molecular weight of 257.31 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-(4-fluoroanilino)ethanone is sourced from PubChem (CID 82120744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).