4-bromo-1-[1-(3-bromophenyl)-2-(dimethylamino)ethyl]pyridin-2-one

C15H16Br2N2O — CID 168851064

IUPAC4-bromo-1-[1-(3-bromophenyl)-2-(dimethylamino)ethyl]pyridin-2-one
SMILESCN(C)CC(c1cccc(Br)c1)n1ccc(Br)cc1=O
InChIInChI=1S/C15H16Br2N2O/c1-18(2)10-14(11-4-3-5-12(16)8-11)19-7-6-13(17)9-15(19)20/h3-9,14H,10H2,1-2H3
InChIKeyVAHWMGBKJAIAPT-UHFFFAOYSA-N
MW400.11 g/mol
LogP3.52
Rot. Bonds4

About 4-bromo-1-[1-(3-bromophenyl)-2-(dimethylamino)ethyl]pyridin-2-one

4-bromo-1-[1-(3-bromophenyl)-2-(dimethylamino)ethyl]pyridin-2-one (PubChem CID 168851064) has the molecular formula C15H16Br2N2O and a molecular weight of 400.11 g/mol. Its IUPAC name is 4-bromo-1-[1-(3-bromophenyl)-2-(dimethylamino)ethyl]pyridin-2-one.

Molecular Properties

Compound Name4-bromo-1-[1-(3-bromophenyl)-2-(dimethylamino)ethyl]pyridin-2-one
PubChem CID168851064
Molecular FormulaC15H16Br2N2O
Molecular Weight400.11 g/mol
Exact Mass397.96
IUPAC Name4-bromo-1-[1-(3-bromophenyl)-2-(dimethylamino)ethyl]pyridin-2-one
SMILESCN(C)CC(c1cccc(Br)c1)n1ccc(Br)cc1=O
InChIInChI=1S/C15H16Br2N2O/c1-18(2)10-14(11-4-3-5-12(16)8-11)19-7-6-13(17)9-15(19)20/h3-9,14H,10H2,1-2H3
InChIKeyVAHWMGBKJAIAPT-UHFFFAOYSA-N
XLogP3.52
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.11
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[1-(3-bromophenyl)-2-(dimethylamino)ethyl]pyridin-2-one?
The IUPAC name of 4-bromo-1-[1-(3-bromophenyl)-2-(dimethylamino)ethyl]pyridin-2-one (CID 168851064) is 4-bromo-1-[1-(3-bromophenyl)-2-(dimethylamino)ethyl]pyridin-2-one.
What is the SMILES notation for 4-bromo-1-[1-(3-bromophenyl)-2-(dimethylamino)ethyl]pyridin-2-one?
The canonical SMILES for 4-bromo-1-[1-(3-bromophenyl)-2-(dimethylamino)ethyl]pyridin-2-one is CN(C)CC(c1cccc(Br)c1)n1ccc(Br)cc1=O.
What is the InChIKey of 4-bromo-1-[1-(3-bromophenyl)-2-(dimethylamino)ethyl]pyridin-2-one?
The InChIKey is VAHWMGBKJAIAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2N2O/c1-18(2)10-14(11-4-3-5-12(16)8-11)19-7-6-13(17)9-15(19)20/h3-9,14H,10H2,1-2H3.
What are the key properties of 4-bromo-1-[1-(3-bromophenyl)-2-(dimethylamino)ethyl]pyridin-2-one?
4-bromo-1-[1-(3-bromophenyl)-2-(dimethylamino)ethyl]pyridin-2-one has a molecular weight of 400.11 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[1-(3-bromophenyl)-2-(dimethylamino)ethyl]pyridin-2-one is sourced from PubChem (CID 168851064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).