1-(2,4-difluorophenyl)-2-(N-ethyl-2-methylanilino)ethanone

C17H17F2NO — CID 43228309

IUPAC1-(2,4-difluorophenyl)-2-(N-ethyl-2-methylanilino)ethanone
SMILESCCN(CC(=O)c1ccc(F)cc1F)c1ccccc1C
InChIInChI=1S/C17H17F2NO/c1-3-20(16-7-5-4-6-12(16)2)11-17(21)14-9-8-13(18)10-15(14)19/h4-10H,3,11H2,1-2H3
InChIKeyWQVVHHMTGSOQGB-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.98
Rot. Bonds5

About 1-(2,4-difluorophenyl)-2-(N-ethyl-2-methylanilino)ethanone

1-(2,4-difluorophenyl)-2-(N-ethyl-2-methylanilino)ethanone (PubChem CID 43228309) has the molecular formula C17H17F2NO and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(N-ethyl-2-methylanilino)ethanone.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(N-ethyl-2-methylanilino)ethanone
PubChem CID43228309
Molecular FormulaC17H17F2NO
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name1-(2,4-difluorophenyl)-2-(N-ethyl-2-methylanilino)ethanone
SMILESCCN(CC(=O)c1ccc(F)cc1F)c1ccccc1C
InChIInChI=1S/C17H17F2NO/c1-3-20(16-7-5-4-6-12(16)2)11-17(21)14-9-8-13(18)10-15(14)19/h4-10H,3,11H2,1-2H3
InChIKeyWQVVHHMTGSOQGB-UHFFFAOYSA-N
XLogP3.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylthiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone
CID 43228322
1-(2,5-dibromothiophen-3-yl)-2-(N-ethyl-2-methylanilino)ethanone
CID 43228317
2-(N-ethyl-2-methylanilino)-1-(4-iodophenyl)ethanone
CID 43228314
2-[(N-ethyl-2-methylanilino)methyl]-4-fluorophenol
CID 107701862
2-(2,4-difluorophenoxy)-N-[2-(N-ethyl-2-methylanilino)ethyl]acetamide
CID 46478861
1-[2-(N-ethyl-2-methylanilino)-5-fluorophenyl]ethanone
CID 28556004
2-(N-ethyl-2-methylanilino)-1-(1-methylpyrrol-2-yl)ethanone
CID 43228316
1-(2,5-dichlorothiophen-3-yl)-2-(N-ethyl-2-fluoroanilino)ethanone
CID 63566126
4-[2-(N-ethyl-2-methylanilino)acetyl]benzonitrile
CID 43228325
1-(3-bromothiophen-2-yl)-2-(N-ethyl-2-methylanilino)ethanone
CID 43794167
2-[(N-ethyl-2-methylanilino)methyl]-5-fluoroaniline
CID 64769965
2-(N-ethyl-3-methylanilino)-1-(2-methylphenyl)ethanone
CID 61102989

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(N-ethyl-2-methylanilino)ethanone?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(N-ethyl-2-methylanilino)ethanone (CID 43228309) is 1-(2,4-difluorophenyl)-2-(N-ethyl-2-methylanilino)ethanone.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(N-ethyl-2-methylanilino)ethanone?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(N-ethyl-2-methylanilino)ethanone is CCN(CC(=O)c1ccc(F)cc1F)c1ccccc1C.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(N-ethyl-2-methylanilino)ethanone?
The InChIKey is WQVVHHMTGSOQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-3-20(16-7-5-4-6-12(16)2)11-17(21)14-9-8-13(18)10-15(14)19/h4-10H,3,11H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-(N-ethyl-2-methylanilino)ethanone?
1-(2,4-difluorophenyl)-2-(N-ethyl-2-methylanilino)ethanone has a molecular weight of 289.33 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(N-ethyl-2-methylanilino)ethanone is sourced from PubChem (CID 43228309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).