N-[(E)-4-aminobut-2-enyl]-2,4-dibromobenzamide

C11H12Br2N2O — CID 107940197

IUPACN-[(E)-4-aminobut-2-enyl]-2,4-dibromobenzamide
SMILESNC/C=C/CNC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C11H12Br2N2O/c12-8-3-4-9(10(13)7-8)11(16)15-6-2-1-5-14/h1-4,7H,5-6,14H2,(H,15,16)/b2-1+
InChIKeyGQFLAJLINUEZQI-OWOJBTEDSA-N
MW348.04 g/mol
LogP2.46
Rot. Bonds4

About N-[(E)-4-aminobut-2-enyl]-2,4-dibromobenzamide

N-[(E)-4-aminobut-2-enyl]-2,4-dibromobenzamide (PubChem CID 107940197) has the molecular formula C11H12Br2N2O and a molecular weight of 348.04 g/mol. Its IUPAC name is N-[(E)-4-aminobut-2-enyl]-2,4-dibromobenzamide.

Molecular Properties

Compound NameN-[(E)-4-aminobut-2-enyl]-2,4-dibromobenzamide
PubChem CID107940197
Molecular FormulaC11H12Br2N2O
Molecular Weight348.04 g/mol
Exact Mass345.93
IUPAC NameN-[(E)-4-aminobut-2-enyl]-2,4-dibromobenzamide
SMILESNC/C=C/CNC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C11H12Br2N2O/c12-8-3-4-9(10(13)7-8)11(16)15-6-2-1-5-14/h1-4,7H,5-6,14H2,(H,15,16)/b2-1+
InChIKeyGQFLAJLINUEZQI-OWOJBTEDSA-N
XLogP2.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.04
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(E)-4-aminobut-2-enyl]-2,4-dibromobenzamide with MolForge

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

Launch Full Analysis

Related Compounds

2,4-dibromo-N-(2-methoxyethyl)benzamide
CID 103882043
2,4-dibromo-N-(2-bromoethyl)benzamide
CID 107941215
2,4-dibromo-N-[(3-bromophenyl)methyl]benzamide
CID 107939159
2,4-dibromo-N-carbamoylbenzamide
CID 107941660
N-(3-amino-2-hydroxy-3-oxopropyl)-2,4-dibromobenzamide
CID 106164860
2,4-dibromo-N-(2-hydroxy-2-methylpropyl)benzamide
CID 103883047
2,4-dibromo-N-(3-methyl-2-oxobutyl)benzamide
CID 104860776
2,4-dibromo-N-(3,3-dimethyl-2-oxobutyl)benzamide
CID 103885609
3-[(2,4-dibromobenzoyl)amino]-2-hydroxypropanoic acid
CID 107938123
2,4-dibromo-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 106385030
2,4-dibromo-N-methylbenzamide
CID 54214948
2,4-dibromo-N-(3-methoxy-2-methylpropyl)benzamide
CID 103882658

Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-aminobut-2-enyl]-2,4-dibromobenzamide?
The IUPAC name of N-[(E)-4-aminobut-2-enyl]-2,4-dibromobenzamide (CID 107940197) is N-[(E)-4-aminobut-2-enyl]-2,4-dibromobenzamide.
What is the SMILES notation for N-[(E)-4-aminobut-2-enyl]-2,4-dibromobenzamide?
The canonical SMILES for N-[(E)-4-aminobut-2-enyl]-2,4-dibromobenzamide is NC/C=C/CNC(=O)c1ccc(Br)cc1Br.
What is the InChIKey of N-[(E)-4-aminobut-2-enyl]-2,4-dibromobenzamide?
The InChIKey is GQFLAJLINUEZQI-OWOJBTEDSA-N. The full InChI is InChI=1S/C11H12Br2N2O/c12-8-3-4-9(10(13)7-8)11(16)15-6-2-1-5-14/h1-4,7H,5-6,14H2,(H,15,16)/b2-1+.
What are the key properties of N-[(E)-4-aminobut-2-enyl]-2,4-dibromobenzamide?
N-[(E)-4-aminobut-2-enyl]-2,4-dibromobenzamide has a molecular weight of 348.04 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-aminobut-2-enyl]-2,4-dibromobenzamide is sourced from PubChem (CID 107940197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).