N-(1,3-benzodioxol-5-yl)-3,5-dibromobenzamide

C14H9Br2NO3 — CID 107980044

IUPACN-(1,3-benzodioxol-5-yl)-3,5-dibromobenzamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H9Br2NO3/c15-9-3-8(4-10(16)5-9)14(18)17-11-1-2-12-13(6-11)20-7-19-12/h1-6H,7H2,(H,17,18)
InChIKeyBAGZQOMKJFYRHL-UHFFFAOYSA-N
MW399.04 g/mol
LogP4.19
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-3,5-dibromobenzamide

N-(1,3-benzodioxol-5-yl)-3,5-dibromobenzamide (PubChem CID 107980044) has the molecular formula C14H9Br2NO3 and a molecular weight of 399.04 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3,5-dibromobenzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3,5-dibromobenzamide
PubChem CID107980044
Molecular FormulaC14H9Br2NO3
Molecular Weight399.04 g/mol
Exact Mass396.89
IUPAC NameN-(1,3-benzodioxol-5-yl)-3,5-dibromobenzamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H9Br2NO3/c15-9-3-8(4-10(16)5-9)14(18)17-11-1-2-12-13(6-11)20-7-19-12/h1-6H,7H2,(H,17,18)
InChIKeyBAGZQOMKJFYRHL-UHFFFAOYSA-N
XLogP4.19
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.04
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 732526
N-(1,3-benzodioxol-5-yl)-3,5-dimethoxy-4-methylbenzamide
CID 2640874
N-(1,3-benzodioxol-5-yl)-4-(2-methylpropanoylamino)benzamide
CID 970946
3-amino-N-(1,3-benzodioxol-5-yl)-4,5-dichlorobenzamide
CID 61092953
3-bromo-N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]benzamide
CID 2220429
N-(1,3-benzodioxol-5-yl)-2-bromo-5-iodobenzamide
CID 103988951
N-(1,3-benzodioxol-5-yl)-4-bromo-2-methoxybenzamide
CID 78987803
N-(1,3-benzodioxol-5-yl)-2-hydrazinyl-2-oxoacetamide
CID 4774594
N-naphthalen-2-yl-1,3-benzodioxole-5-carboxamide
CID 959403
5-(1,3-benzodioxol-5-ylcarbamoyl)furan-3-carboxylic acid
CID 104606905
N-(1,3-benzodioxol-5-yl)-4-(diethylsulfamoyl)benzamide
CID 2582581
N-(1,3-benzodioxol-5-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 43641280

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3,5-dibromobenzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3,5-dibromobenzamide (CID 107980044) is N-(1,3-benzodioxol-5-yl)-3,5-dibromobenzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3,5-dibromobenzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3,5-dibromobenzamide is O=C(Nc1ccc2c(c1)OCO2)c1cc(Br)cc(Br)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3,5-dibromobenzamide?
The InChIKey is BAGZQOMKJFYRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2NO3/c15-9-3-8(4-10(16)5-9)14(18)17-11-1-2-12-13(6-11)20-7-19-12/h1-6H,7H2,(H,17,18).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3,5-dibromobenzamide?
N-(1,3-benzodioxol-5-yl)-3,5-dibromobenzamide has a molecular weight of 399.04 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3,5-dibromobenzamide is sourced from PubChem (CID 107980044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).