N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]acetamide

C10H10BrNO3 — CID 6464028

IUPACN-[(6-bromo-1,3-benzodioxol-5-yl)methyl]acetamide
SMILESCC(=O)NCc1cc2c(cc1Br)OCO2
InChIInChI=1S/C10H10BrNO3/c1-6(13)12-4-7-2-9-10(3-8(7)11)15-5-14-9/h2-3H,4-5H2,1H3,(H,12,13)
InChIKeyWZGSXOGBDJICLC-UHFFFAOYSA-N
MW272.10 g/mol
LogP1.81
Rot. Bonds2

About N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]acetamide

N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]acetamide (PubChem CID 6464028) has the molecular formula C10H10BrNO3 and a molecular weight of 272.10 g/mol. Its IUPAC name is N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(6-bromo-1,3-benzodioxol-5-yl)methyl]acetamide
PubChem CID6464028
Molecular FormulaC10H10BrNO3
Molecular Weight272.10 g/mol
Exact Mass270.98
IUPAC NameN-[(6-bromo-1,3-benzodioxol-5-yl)methyl]acetamide
SMILESCC(=O)NCc1cc2c(cc1Br)OCO2
InChIInChI=1S/C10H10BrNO3/c1-6(13)12-4-7-2-9-10(3-8(7)11)15-5-14-9/h2-3H,4-5H2,1H3,(H,12,13)
InChIKeyWZGSXOGBDJICLC-UHFFFAOYSA-N
XLogP1.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]acetamide 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 N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]acetamide?
The IUPAC name of N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]acetamide (CID 6464028) is N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]acetamide.
What is the SMILES notation for N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]acetamide?
The canonical SMILES for N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]acetamide is CC(=O)NCc1cc2c(cc1Br)OCO2.
What is the InChIKey of N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]acetamide?
The InChIKey is WZGSXOGBDJICLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO3/c1-6(13)12-4-7-2-9-10(3-8(7)11)15-5-14-9/h2-3H,4-5H2,1H3,(H,12,13).
What are the key properties of N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]acetamide?
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]acetamide has a molecular weight of 272.10 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]acetamide is sourced from PubChem (CID 6464028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).