3-(1,3-benzodioxol-5-yl)-N-(2,4-dibromophenyl)propanamide

C16H13Br2NO3 — CID 16574686

IUPAC3-(1,3-benzodioxol-5-yl)-N-(2,4-dibromophenyl)propanamide
SMILESO=C(CCc1ccc2c(c1)OCO2)Nc1ccc(Br)cc1Br
InChIInChI=1S/C16H13Br2NO3/c17-11-3-4-13(12(18)8-11)19-16(20)6-2-10-1-5-14-15(7-10)22-9-21-14/h1,3-5,7-8H,2,6,9H2,(H,19,20)
InChIKeySHRSCGRGANXZME-UHFFFAOYSA-N
MW427.09 g/mol
LogP4.51
Rot. Bonds4

About 3-(1,3-benzodioxol-5-yl)-N-(2,4-dibromophenyl)propanamide

3-(1,3-benzodioxol-5-yl)-N-(2,4-dibromophenyl)propanamide (PubChem CID 16574686) has the molecular formula C16H13Br2NO3 and a molecular weight of 427.09 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-(2,4-dibromophenyl)propanamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-(2,4-dibromophenyl)propanamide
PubChem CID16574686
Molecular FormulaC16H13Br2NO3
Molecular Weight427.09 g/mol
Exact Mass424.93
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-(2,4-dibromophenyl)propanamide
SMILESO=C(CCc1ccc2c(c1)OCO2)Nc1ccc(Br)cc1Br
InChIInChI=1S/C16H13Br2NO3/c17-11-3-4-13(12(18)8-11)19-16(20)6-2-10-1-5-14-15(7-10)22-9-21-14/h1,3-5,7-8H,2,6,9H2,(H,19,20)
InChIKeySHRSCGRGANXZME-UHFFFAOYSA-N
XLogP4.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.09
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1,3-benzodioxol-5-yl)-N-(2,4-dibromophenyl)propanamide 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

3-(1,3-benzodioxol-5-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 16574669
3-(1,3-benzodioxol-5-ylmethylamino)-N-(2-bromophenyl)propanamide
CID 109022837
N-[2-acetamido-5-(trifluoromethyl)phenyl]-3-(1,3-benzodioxol-5-yl)propanamide
CID 48524539
3-(1,3-benzodioxol-5-yl)-N-(2,6-diethylphenyl)propanamide
CID 16574716
3-(1,3-benzodioxol-5-yl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide
CID 43068458
3-(1,3-benzodioxol-5-yl)-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 17423969
N-[2-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-4-chlorobenzamide
CID 31967410
N-[4-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2,2-dimethylpropanamide
CID 24641729
2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(3-methylphenyl)benzamide
CID 24555317
3-(1,3-benzodioxol-5-yl)-N-(4-nitrophenyl)propanamide
CID 18121776
2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(2-phenylethyl)benzamide
CID 16574742
3-(1,3-benzodioxol-5-yl)-N-(3-hydroxypropyl)propanamide
CID 43417651

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-(2,4-dibromophenyl)propanamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-(2,4-dibromophenyl)propanamide (CID 16574686) is 3-(1,3-benzodioxol-5-yl)-N-(2,4-dibromophenyl)propanamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-(2,4-dibromophenyl)propanamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-(2,4-dibromophenyl)propanamide is O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(Br)cc1Br.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-(2,4-dibromophenyl)propanamide?
The InChIKey is SHRSCGRGANXZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br2NO3/c17-11-3-4-13(12(18)8-11)19-16(20)6-2-10-1-5-14-15(7-10)22-9-21-14/h1,3-5,7-8H,2,6,9H2,(H,19,20).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-(2,4-dibromophenyl)propanamide?
3-(1,3-benzodioxol-5-yl)-N-(2,4-dibromophenyl)propanamide has a molecular weight of 427.09 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-(2,4-dibromophenyl)propanamide is sourced from PubChem (CID 16574686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).