1-(4-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]ethanone

C16H14BrCl2NO — CID 22386828

IUPAC1-(4-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]ethanone
SMILESCN(CC(=O)c1ccc(Br)cc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H14BrCl2NO/c1-20(9-12-4-7-14(18)8-15(12)19)10-16(21)11-2-5-13(17)6-3-11/h2-8H,9-10H2,1H3
InChIKeyCAZIIVLUVSKLSK-UHFFFAOYSA-N
MW387.10 g/mol
LogP5.07
Rot. Bonds5

About 1-(4-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]ethanone

1-(4-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]ethanone (PubChem CID 22386828) has the molecular formula C16H14BrCl2NO and a molecular weight of 387.10 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]ethanone
PubChem CID22386828
Molecular FormulaC16H14BrCl2NO
Molecular Weight387.10 g/mol
Exact Mass384.96
IUPAC Name1-(4-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]ethanone
SMILESCN(CC(=O)c1ccc(Br)cc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H14BrCl2NO/c1-20(9-12-4-7-14(18)8-15(12)19)10-16(21)11-2-5-13(17)6-3-11/h2-8H,9-10H2,1H3
InChIKeyCAZIIVLUVSKLSK-UHFFFAOYSA-N
XLogP5.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.10
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]ethanone?
The IUPAC name of 1-(4-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]ethanone (CID 22386828) is 1-(4-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]ethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]ethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]ethanone is CN(CC(=O)c1ccc(Br)cc1)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(4-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]ethanone?
The InChIKey is CAZIIVLUVSKLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrCl2NO/c1-20(9-12-4-7-14(18)8-15(12)19)10-16(21)11-2-5-13(17)6-3-11/h2-8H,9-10H2,1H3.
What are the key properties of 1-(4-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]ethanone?
1-(4-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]ethanone has a molecular weight of 387.10 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]ethanone is sourced from PubChem (CID 22386828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).