N-(1,3-benzodioxol-4-ylmethyl)-2,4-dibromobenzamide

C15H11Br2NO3 — CID 103882622

IUPACN-(1,3-benzodioxol-4-ylmethyl)-2,4-dibromobenzamide
SMILESO=C(NCc1cccc2c1OCO2)c1ccc(Br)cc1Br
InChIInChI=1S/C15H11Br2NO3/c16-10-4-5-11(12(17)6-10)15(19)18-7-9-2-1-3-13-14(9)21-8-20-13/h1-6H,7-8H2,(H,18,19)
InChIKeyWMNGMNREQJUZKZ-UHFFFAOYSA-N
MW413.07 g/mol
LogP3.87
Rot. Bonds3

About N-(1,3-benzodioxol-4-ylmethyl)-2,4-dibromobenzamide

N-(1,3-benzodioxol-4-ylmethyl)-2,4-dibromobenzamide (PubChem CID 103882622) has the molecular formula C15H11Br2NO3 and a molecular weight of 413.07 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-ylmethyl)-2,4-dibromobenzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-ylmethyl)-2,4-dibromobenzamide
PubChem CID103882622
Molecular FormulaC15H11Br2NO3
Molecular Weight413.07 g/mol
Exact Mass410.91
IUPAC NameN-(1,3-benzodioxol-4-ylmethyl)-2,4-dibromobenzamide
SMILESO=C(NCc1cccc2c1OCO2)c1ccc(Br)cc1Br
InChIInChI=1S/C15H11Br2NO3/c16-10-4-5-11(12(17)6-10)15(19)18-7-9-2-1-3-13-14(9)21-8-20-13/h1-6H,7-8H2,(H,18,19)
InChIKeyWMNGMNREQJUZKZ-UHFFFAOYSA-N
XLogP3.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.07
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1,3-benzodioxol-4-ylmethyl)-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

N-(1,3-benzodioxol-4-ylmethyl)-2-bromo-4-fluorobenzamide
CID 61149573
4-amino-N-(1,3-benzodioxol-4-ylmethyl)-2-fluorobenzamide
CID 107794291
N-(1,3-benzodioxol-4-ylmethyl)-3-bromo-4-methylbenzamide
CID 79466746
N-(1,3-benzodioxol-4-ylmethyl)-2-fluoro-3-methylbenzamide
CID 80711178
N-[(2-bromo-5-fluorophenyl)methyl]-1,3-benzodioxole-4-carboxamide
CID 55899212
3-amino-N-(1,3-benzodioxol-4-ylmethyl)benzamide
CID 61212849
2,4-dibromo-N-[(3-bromophenyl)methyl]benzamide
CID 107939159
N-(1,3-benzodioxol-4-ylmethyl)-2,2-dimethylpropanamide
CID 61149994
N-(1,3-benzodioxol-4-ylmethyl)-3-(chloromethyl)benzamide
CID 61210778
2-amino-N-(1,3-benzodioxol-4-ylmethyl)acetamide;hydrochloride
CID 119298911
N-(1,3-benzodioxol-4-ylmethyl)-4-bromo-2-fluoroaniline
CID 43583401
1-(1,3-benzodioxol-4-yl)-N-[(5-bromo-2-chlorophenyl)methyl]methanamine
CID 103792717

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-2,4-dibromobenzamide?
The IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-2,4-dibromobenzamide (CID 103882622) is N-(1,3-benzodioxol-4-ylmethyl)-2,4-dibromobenzamide.
What is the SMILES notation for N-(1,3-benzodioxol-4-ylmethyl)-2,4-dibromobenzamide?
The canonical SMILES for N-(1,3-benzodioxol-4-ylmethyl)-2,4-dibromobenzamide is O=C(NCc1cccc2c1OCO2)c1ccc(Br)cc1Br.
What is the InChIKey of N-(1,3-benzodioxol-4-ylmethyl)-2,4-dibromobenzamide?
The InChIKey is WMNGMNREQJUZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2NO3/c16-10-4-5-11(12(17)6-10)15(19)18-7-9-2-1-3-13-14(9)21-8-20-13/h1-6H,7-8H2,(H,18,19).
What are the key properties of N-(1,3-benzodioxol-4-ylmethyl)-2,4-dibromobenzamide?
N-(1,3-benzodioxol-4-ylmethyl)-2,4-dibromobenzamide has a molecular weight of 413.07 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-4-ylmethyl)-2,4-dibromobenzamide is sourced from PubChem (CID 103882622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).