3-(N,3-dimethylanilino)-1-(2-fluorophenyl)-2-methylpropan-1-one

C18H20FNO — CID 115996551

IUPAC3-(N,3-dimethylanilino)-1-(2-fluorophenyl)-2-methylpropan-1-one
SMILESCc1cccc(N(C)CC(C)C(=O)c2ccccc2F)c1
InChIInChI=1S/C18H20FNO/c1-13-7-6-8-15(11-13)20(3)12-14(2)18(21)16-9-4-5-10-17(16)19/h4-11,14H,12H2,1-3H3
InChIKeyWVELTSUTEFMLPJ-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.09
Rot. Bonds5

About 3-(N,3-dimethylanilino)-1-(2-fluorophenyl)-2-methylpropan-1-one

3-(N,3-dimethylanilino)-1-(2-fluorophenyl)-2-methylpropan-1-one (PubChem CID 115996551) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 3-(N,3-dimethylanilino)-1-(2-fluorophenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name3-(N,3-dimethylanilino)-1-(2-fluorophenyl)-2-methylpropan-1-one
PubChem CID115996551
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name3-(N,3-dimethylanilino)-1-(2-fluorophenyl)-2-methylpropan-1-one
SMILESCc1cccc(N(C)CC(C)C(=O)c2ccccc2F)c1
InChIInChI=1S/C18H20FNO/c1-13-7-6-8-15(11-13)20(3)12-14(2)18(21)16-9-4-5-10-17(16)19/h4-11,14H,12H2,1-3H3
InChIKeyWVELTSUTEFMLPJ-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4'-Bis(dimethylamino)benzophenone
CID 7031
4,4'-Bis(diethylamino)benzophenone
CID 66663
1-Methyl-4-quinolone
CID 6748
4-Dimethylaminochalcone
CID 5377268
4-(Dimethylamino)benzophenone
CID 10737
1-[3-Fluoro-4-(piperidin-1-yl)phenyl]ethan-1-one
CID 775592
m-(N,N,N-Trimethylammonio)trifluoroacetophenone
CID 5492
1-Methyl-2-phenyl-4(1H)-quinolinone
CID 776143
Propiophenone, 3-(4-phenyl-1-piperazinyl)-
CID 213313
Butropipazone
CID 16889
4-Dimethylamino-4'-fluorochalcone
CID 5709047
BW284C51
CID 1338

Frequently Asked Questions

What is the IUPAC name of 3-(N,3-dimethylanilino)-1-(2-fluorophenyl)-2-methylpropan-1-one?
The IUPAC name of 3-(N,3-dimethylanilino)-1-(2-fluorophenyl)-2-methylpropan-1-one (CID 115996551) is 3-(N,3-dimethylanilino)-1-(2-fluorophenyl)-2-methylpropan-1-one.
What is the SMILES notation for 3-(N,3-dimethylanilino)-1-(2-fluorophenyl)-2-methylpropan-1-one?
The canonical SMILES for 3-(N,3-dimethylanilino)-1-(2-fluorophenyl)-2-methylpropan-1-one is Cc1cccc(N(C)CC(C)C(=O)c2ccccc2F)c1.
What is the InChIKey of 3-(N,3-dimethylanilino)-1-(2-fluorophenyl)-2-methylpropan-1-one?
The InChIKey is WVELTSUTEFMLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-13-7-6-8-15(11-13)20(3)12-14(2)18(21)16-9-4-5-10-17(16)19/h4-11,14H,12H2,1-3H3.
What are the key properties of 3-(N,3-dimethylanilino)-1-(2-fluorophenyl)-2-methylpropan-1-one?
3-(N,3-dimethylanilino)-1-(2-fluorophenyl)-2-methylpropan-1-one has a molecular weight of 285.36 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N,3-dimethylanilino)-1-(2-fluorophenyl)-2-methylpropan-1-one is sourced from PubChem (CID 115996551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).