2-(2,4-difluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone

C16H15F2NO — CID 105085149

IUPAC2-(2,4-difluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone
SMILESCN(C)c1cccc(C(=O)Cc2ccc(F)cc2F)c1
InChIInChI=1S/C16H15F2NO/c1-19(2)14-5-3-4-12(8-14)16(20)9-11-6-7-13(17)10-15(11)18/h3-8,10H,9H2,1-2H3
InChIKeyQHUCJFRHPOJRMY-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.46
Rot. Bonds4

About 2-(2,4-difluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone

2-(2,4-difluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone (PubChem CID 105085149) has the molecular formula C16H15F2NO and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone
PubChem CID105085149
Molecular FormulaC16H15F2NO
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC Name2-(2,4-difluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone
SMILESCN(C)c1cccc(C(=O)Cc2ccc(F)cc2F)c1
InChIInChI=1S/C16H15F2NO/c1-19(2)14-5-3-4-12(8-14)16(20)9-11-6-7-13(17)10-15(11)18/h3-8,10H,9H2,1-2H3
InChIKeyQHUCJFRHPOJRMY-UHFFFAOYSA-N
XLogP3.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-3-fluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone
CID 105121347
2-(3-chloro-4-fluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone
CID 103042833
2-(2,5-difluorophenyl)-1-[4-(dimethylamino)phenyl]ethanone
CID 105082380
1-[3-(dimethylamino)phenyl]propan-1-one;hydrochloride
CID 18686743
2-(2,4-difluorophenyl)-1-(3-fluoro-5-methylphenyl)ethanone
CID 79705234
2-(4-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanone
CID 105078998
1-[3-(dimethylamino)phenyl]butan-1-one
CID 67236885
2-(2,4-difluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 64560034
[2-[3-(dimethylamino)phenyl]-2-oxoethyl]-dimethylsulfanium
CID 20792439
bis[3-(dimethylamino)phenyl]methanone
CID 14534104
N-[(2,4-difluorophenyl)methyl]-4-(dimethylamino)-N-methylbenzamide
CID 134053299
3-[(2,4-difluorophenyl)methyl-methylamino]benzenecarboximidamide
CID 62970652

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone?
The IUPAC name of 2-(2,4-difluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone (CID 105085149) is 2-(2,4-difluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone is CN(C)c1cccc(C(=O)Cc2ccc(F)cc2F)c1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone?
The InChIKey is QHUCJFRHPOJRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO/c1-19(2)14-5-3-4-12(8-14)16(20)9-11-6-7-13(17)10-15(11)18/h3-8,10H,9H2,1-2H3.
What are the key properties of 2-(2,4-difluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone?
2-(2,4-difluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone has a molecular weight of 275.30 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone is sourced from PubChem (CID 105085149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).