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

C16H16BrNO — CID 105078998

IUPAC2-(4-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanone
SMILESCN(C)c1cccc(C(=O)Cc2ccc(Br)cc2)c1
InChIInChI=1S/C16H16BrNO/c1-18(2)15-5-3-4-13(11-15)16(19)10-12-6-8-14(17)9-7-12/h3-9,11H,10H2,1-2H3
InChIKeyCDJQCTOVIPGSRK-UHFFFAOYSA-N
MW318.21 g/mol
LogP3.94
Rot. Bonds4

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

2-(4-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanone (PubChem CID 105078998) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanone
PubChem CID105078998
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name2-(4-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanone
SMILESCN(C)c1cccc(C(=O)Cc2ccc(Br)cc2)c1
InChIInChI=1S/C16H16BrNO/c1-18(2)15-5-3-4-13(11-15)16(19)10-12-6-8-14(17)9-7-12/h3-9,11H,10H2,1-2H3
InChIKeyCDJQCTOVIPGSRK-UHFFFAOYSA-N
XLogP3.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-2-(4-bromophenyl)ethanone
CID 55026809
2-(3-bromo-4-methoxyphenyl)-1-[3-(dimethylamino)phenyl]ethanone
CID 105083774
2-(3-chloro-4-fluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone
CID 103042833
1-[3-(dimethylamino)phenyl]butan-1-one
CID 67236885
2-(2-bromo-3-fluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone
CID 105121347
1-[3-(dimethylamino)phenyl]propan-1-one;hydrochloride
CID 18686743
N-(4-bromophenyl)-3-(dimethylamino)benzamide
CID 690521
1-[3-(dimethylamino)phenyl]-4-phenylbutan-1-one
CID 105093194
[2-[3-(dimethylamino)phenyl]-2-oxoethyl]-dimethylsulfanium
CID 20792439
bis[3-(dimethylamino)phenyl]methanone
CID 14534104
2-(2,4-difluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone
CID 105085149
2-(4-bromophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 63411866

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanone?
The IUPAC name of 2-(4-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanone (CID 105078998) is 2-(4-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanone.
What is the SMILES notation for 2-(4-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanone?
The canonical SMILES for 2-(4-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanone is CN(C)c1cccc(C(=O)Cc2ccc(Br)cc2)c1.
What is the InChIKey of 2-(4-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanone?
The InChIKey is CDJQCTOVIPGSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-18(2)15-5-3-4-13(11-15)16(19)10-12-6-8-14(17)9-7-12/h3-9,11H,10H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanone?
2-(4-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanone has a molecular weight of 318.21 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanone is sourced from PubChem (CID 105078998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).