2-(2-bromo-3-fluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone

C16H15BrFNO — CID 105121347

IUPAC2-(2-bromo-3-fluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone
SMILESCN(C)c1cccc(C(=O)Cc2cccc(F)c2Br)c1
InChIInChI=1S/C16H15BrFNO/c1-19(2)13-7-3-5-11(9-13)15(20)10-12-6-4-8-14(18)16(12)17/h3-9H,10H2,1-2H3
InChIKeyWTUUCTPPLOKEEK-UHFFFAOYSA-N
MW336.20 g/mol
LogP4.08
Rot. Bonds4

About 2-(2-bromo-3-fluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone

2-(2-bromo-3-fluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone (PubChem CID 105121347) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is 2-(2-bromo-3-fluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone.

Molecular Properties

Compound Name2-(2-bromo-3-fluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone
PubChem CID105121347
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC Name2-(2-bromo-3-fluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone
SMILESCN(C)c1cccc(C(=O)Cc2cccc(F)c2Br)c1
InChIInChI=1S/C16H15BrFNO/c1-19(2)13-7-3-5-11(9-13)15(20)10-12-6-4-8-14(18)16(12)17/h3-9H,10H2,1-2H3
InChIKeyWTUUCTPPLOKEEK-UHFFFAOYSA-N
XLogP4.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone
CID 105085149
2-(4-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanone
CID 105078998
2-(2-bromo-3-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanone
CID 115790146
2-(2-bromo-3-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanone
CID 115790040
2-(3-chloro-4-fluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone
CID 103042833
1-[3-(dimethylamino)phenyl]propan-1-one;hydrochloride
CID 18686743
2-(2-bromo-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanone
CID 115790101
1-[3-(dimethylamino)phenyl]butan-1-one
CID 67236885
2-(3-bromo-4-methoxyphenyl)-1-[3-(dimethylamino)phenyl]ethanone
CID 105083774
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanone
CID 114885338
[2-[3-(dimethylamino)phenyl]-2-oxoethyl]-dimethylsulfanium
CID 20792439
2-(2-bromo-3-fluorophenyl)-1-(5-bromo-2-fluorophenyl)ethanone
CID 114894273

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone?
The IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone (CID 105121347) is 2-(2-bromo-3-fluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone.
What is the SMILES notation for 2-(2-bromo-3-fluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone?
The canonical SMILES for 2-(2-bromo-3-fluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone is CN(C)c1cccc(C(=O)Cc2cccc(F)c2Br)c1.
What is the InChIKey of 2-(2-bromo-3-fluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone?
The InChIKey is WTUUCTPPLOKEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c1-19(2)13-7-3-5-11(9-13)15(20)10-12-6-4-8-14(18)16(12)17/h3-9H,10H2,1-2H3.
What are the key properties of 2-(2-bromo-3-fluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone?
2-(2-bromo-3-fluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone has a molecular weight of 336.20 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-fluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone is sourced from PubChem (CID 105121347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).