3,5-dibromo-N-methyl-N-pent-4-enylbenzamide

C13H15Br2NO — CID 103908739

IUPAC3,5-dibromo-N-methyl-N-pent-4-enylbenzamide
SMILESC=CCCCN(C)C(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H15Br2NO/c1-3-4-5-6-16(2)13(17)10-7-11(14)9-12(15)8-10/h3,7-9H,1,4-6H2,2H3
InChIKeyZKQCVJCPJIKRFO-UHFFFAOYSA-N
MW361.08 g/mol
LogP4.25
Rot. Bonds5

About 3,5-dibromo-N-methyl-N-pent-4-enylbenzamide

3,5-dibromo-N-methyl-N-pent-4-enylbenzamide (PubChem CID 103908739) has the molecular formula C13H15Br2NO and a molecular weight of 361.08 g/mol. Its IUPAC name is 3,5-dibromo-N-methyl-N-pent-4-enylbenzamide.

Molecular Properties

Compound Name3,5-dibromo-N-methyl-N-pent-4-enylbenzamide
PubChem CID103908739
Molecular FormulaC13H15Br2NO
Molecular Weight361.08 g/mol
Exact Mass358.95
IUPAC Name3,5-dibromo-N-methyl-N-pent-4-enylbenzamide
SMILESC=CCCCN(C)C(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H15Br2NO/c1-3-4-5-6-16(2)13(17)10-7-11(14)9-12(15)8-10/h3,7-9H,1,4-6H2,2H3
InChIKeyZKQCVJCPJIKRFO-UHFFFAOYSA-N
XLogP4.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.08
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,5-dibromo-N-methyl-N-pent-4-enylbenzamide 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

4-fluoro-N-methyl-N-pent-4-enylbenzamide
CID 115640348
1-(3,5-dibromophenyl)hex-5-en-1-one
CID 107976917
3,5-dibromo-N-(2-ethoxyethyl)-N-methylbenzamide
CID 103909435
4-(aminomethyl)-N-methyl-N-pent-4-enylbenzamide
CID 115734604
2-bromo-N,5-dimethyl-N-pent-4-enylbenzamide
CID 115702280
3-bromo-N-butyl-5-chloro-N-methylbenzamide
CID 110415930
3-bromo-5-chloro-N-methyl-N-prop-2-enylbenzamide
CID 104952959
N-methyl-N-pent-4-enylpropanamide
CID 115640317
3-bromo-N-[2-(dimethylamino)ethyl]-N,5-dimethylbenzamide
CID 104852714
5-chloro-2-fluoro-N-methyl-N-pent-4-enylbenzamide
CID 115640332
3-bromo-N-[3-[(N,N'-dimethyl-N-pent-4-enylcarbamimidoyl)amino]propyl]benzamide;hydroiodide
CID 109497592
3,5-dibromo-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 103908249

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-methyl-N-pent-4-enylbenzamide?
The IUPAC name of 3,5-dibromo-N-methyl-N-pent-4-enylbenzamide (CID 103908739) is 3,5-dibromo-N-methyl-N-pent-4-enylbenzamide.
What is the SMILES notation for 3,5-dibromo-N-methyl-N-pent-4-enylbenzamide?
The canonical SMILES for 3,5-dibromo-N-methyl-N-pent-4-enylbenzamide is C=CCCCN(C)C(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-methyl-N-pent-4-enylbenzamide?
The InChIKey is ZKQCVJCPJIKRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2NO/c1-3-4-5-6-16(2)13(17)10-7-11(14)9-12(15)8-10/h3,7-9H,1,4-6H2,2H3.
What are the key properties of 3,5-dibromo-N-methyl-N-pent-4-enylbenzamide?
3,5-dibromo-N-methyl-N-pent-4-enylbenzamide has a molecular weight of 361.08 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-methyl-N-pent-4-enylbenzamide is sourced from PubChem (CID 103908739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).