[2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]-dimethylazanium

C16H17BrNO+ — CID 140658009

IUPAC[2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]-dimethylazanium
SMILESC[NH+](C)CC(=O)c1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H16BrNO/c1-18(2)11-16(19)14-5-3-12(4-6-14)13-7-9-15(17)10-8-13/h3-10H,11H2,1-2H3/p+1
InChIKeyXIFKXCHHQORHRX-UHFFFAOYSA-O
MW319.22 g/mol
LogP2.44
Rot. Bonds4

About [2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]-dimethylazanium

[2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]-dimethylazanium (PubChem CID 140658009) has the molecular formula C16H17BrNO+ and a molecular weight of 319.22 g/mol. Its IUPAC name is [2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]-dimethylazanium.

Molecular Properties

Compound Name[2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]-dimethylazanium
PubChem CID140658009
Molecular FormulaC16H17BrNO+
Molecular Weight319.22 g/mol
Exact Mass318.05
IUPAC Name[2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]-dimethylazanium
SMILESC[NH+](C)CC(=O)c1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H16BrNO/c1-18(2)11-16(19)14-5-3-12(4-6-14)13-7-9-15(17)10-8-13/h3-10H,11H2,1-2H3/p+1
InChIKeyXIFKXCHHQORHRX-UHFFFAOYSA-O
XLogP2.44
TPSA21.51 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(4-bromophenyl)phenyl]-2-hydroxyethanone
CID 123191704
1-[4-(4-bromophenyl)phenyl]-4-(dimethylamino)butan-1-one chloride
CID 57388918
1-(4-bromophenyl)-2-phosphanylethanone;hydrobromide
CID 173013220
2-[[5-[2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 30399584
1-(4-bromophenyl)-2-(tribromo-λ4-tellanyl)ethanone
CID 134926841
1-(4-bromophenyl)-3-methylbut-3-en-1-one
CID 79177133
1-(4-bromophenyl)-2-(4-phenylphenoxy)ethanone
CID 4309178
1-(4-bromophenyl)-2-(2-methylpropylsulfanyl)ethanone
CID 43412794
propyl 4-(4-bromophenyl)benzoate
CID 54182451
2-[4-(4-bromophenyl)phenyl]-2-oxoacetaldehyde
CID 39233469
2-(bromoamino)-1-(4-bromophenyl)ethanone
CID 86670861
1-[4-(4-bromophenyl)phenyl]-3-(dimethylamino)propan-1-one;1-[4-(4-bromophenyl)phenyl]ethanone;N-methylmethanamine
CID 162072380

Frequently Asked Questions

What is the IUPAC name of [2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]-dimethylazanium?
The IUPAC name of [2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]-dimethylazanium (CID 140658009) is [2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]-dimethylazanium.
What is the SMILES notation for [2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]-dimethylazanium?
The canonical SMILES for [2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]-dimethylazanium is C[NH+](C)CC(=O)c1ccc(-c2ccc(Br)cc2)cc1.
What is the InChIKey of [2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]-dimethylazanium?
The InChIKey is XIFKXCHHQORHRX-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H16BrNO/c1-18(2)11-16(19)14-5-3-12(4-6-14)13-7-9-15(17)10-8-13/h3-10H,11H2,1-2H3/p+1.
What are the key properties of [2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]-dimethylazanium?
[2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]-dimethylazanium has a molecular weight of 319.22 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]-dimethylazanium is sourced from PubChem (CID 140658009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).