bis[3-bromo-4-(dimethylamino)phenyl]methanone

C17H18Br2N2O — CID 68536272

IUPACbis[3-bromo-4-(dimethylamino)phenyl]methanone
SMILESCN(C)c1ccc(C(=O)c2ccc(N(C)C)c(Br)c2)cc1Br
InChIInChI=1S/C17H18Br2N2O/c1-20(2)15-7-5-11(9-13(15)18)17(22)12-6-8-16(21(3)4)14(19)10-12/h5-10H,1-4H3
InChIKeyYDLUPBJQXCOOCX-UHFFFAOYSA-N
MW426.15 g/mol
LogP4.57
Rot. Bonds4

About bis[3-bromo-4-(dimethylamino)phenyl]methanone

bis[3-bromo-4-(dimethylamino)phenyl]methanone (PubChem CID 68536272) has the molecular formula C17H18Br2N2O and a molecular weight of 426.15 g/mol. Its IUPAC name is bis[3-bromo-4-(dimethylamino)phenyl]methanone.

Molecular Properties

Compound Namebis[3-bromo-4-(dimethylamino)phenyl]methanone
PubChem CID68536272
Molecular FormulaC17H18Br2N2O
Molecular Weight426.15 g/mol
Exact Mass423.98
IUPAC Namebis[3-bromo-4-(dimethylamino)phenyl]methanone
SMILESCN(C)c1ccc(C(=O)c2ccc(N(C)C)c(Br)c2)cc1Br
InChIInChI=1S/C17H18Br2N2O/c1-20(2)15-7-5-11(9-13(15)18)17(22)12-6-8-16(21(3)4)14(19)10-12/h5-10H,1-4H3
InChIKeyYDLUPBJQXCOOCX-UHFFFAOYSA-N
XLogP4.57
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.15
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis[3-bromo-4-(dimethylamino)phenyl]methanone?
The IUPAC name of bis[3-bromo-4-(dimethylamino)phenyl]methanone (CID 68536272) is bis[3-bromo-4-(dimethylamino)phenyl]methanone.
What is the SMILES notation for bis[3-bromo-4-(dimethylamino)phenyl]methanone?
The canonical SMILES for bis[3-bromo-4-(dimethylamino)phenyl]methanone is CN(C)c1ccc(C(=O)c2ccc(N(C)C)c(Br)c2)cc1Br.
What is the InChIKey of bis[3-bromo-4-(dimethylamino)phenyl]methanone?
The InChIKey is YDLUPBJQXCOOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Br2N2O/c1-20(2)15-7-5-11(9-13(15)18)17(22)12-6-8-16(21(3)4)14(19)10-12/h5-10H,1-4H3.
What are the key properties of bis[3-bromo-4-(dimethylamino)phenyl]methanone?
bis[3-bromo-4-(dimethylamino)phenyl]methanone has a molecular weight of 426.15 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-bromo-4-(dimethylamino)phenyl]methanone is sourced from PubChem (CID 68536272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).