1-(4-amino-3,5-dibromophenyl)-2-(methylamino)ethanone

C9H10Br2N2O — CID 21109899

IUPAC1-(4-amino-3,5-dibromophenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(Br)c(N)c(Br)c1
InChIInChI=1S/C9H10Br2N2O/c1-13-4-8(14)5-2-6(10)9(12)7(11)3-5/h2-3,13H,4,12H2,1H3
InChIKeyAGLUMLDLEUAGTQ-UHFFFAOYSA-N
MW322.00 g/mol
LogP2.20
Rot. Bonds3

About 1-(4-amino-3,5-dibromophenyl)-2-(methylamino)ethanone

1-(4-amino-3,5-dibromophenyl)-2-(methylamino)ethanone (PubChem CID 21109899) has the molecular formula C9H10Br2N2O and a molecular weight of 322.00 g/mol. Its IUPAC name is 1-(4-amino-3,5-dibromophenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(4-amino-3,5-dibromophenyl)-2-(methylamino)ethanone
PubChem CID21109899
Molecular FormulaC9H10Br2N2O
Molecular Weight322.00 g/mol
Exact Mass319.92
IUPAC Name1-(4-amino-3,5-dibromophenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(Br)c(N)c(Br)c1
InChIInChI=1S/C9H10Br2N2O/c1-13-4-8(14)5-2-6(10)9(12)7(11)3-5/h2-3,13H,4,12H2,1H3
InChIKeyAGLUMLDLEUAGTQ-UHFFFAOYSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.00
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(4-amino-3,5-dibromophenyl)-2-(methylamino)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,5-dibromophenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(4-amino-3,5-dibromophenyl)-2-(methylamino)ethanone (CID 21109899) is 1-(4-amino-3,5-dibromophenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(4-amino-3,5-dibromophenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(4-amino-3,5-dibromophenyl)-2-(methylamino)ethanone is CNCC(=O)c1cc(Br)c(N)c(Br)c1.
What is the InChIKey of 1-(4-amino-3,5-dibromophenyl)-2-(methylamino)ethanone?
The InChIKey is AGLUMLDLEUAGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2N2O/c1-13-4-8(14)5-2-6(10)9(12)7(11)3-5/h2-3,13H,4,12H2,1H3.
What are the key properties of 1-(4-amino-3,5-dibromophenyl)-2-(methylamino)ethanone?
1-(4-amino-3,5-dibromophenyl)-2-(methylamino)ethanone has a molecular weight of 322.00 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,5-dibromophenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 21109899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).