N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-ethoxyphenyl)acetamide

C18H18BrNO4 — CID 26902730

IUPACN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)Nc2cc3c(cc2Br)OCCO3)cc1
InChIInChI=1S/C18H18BrNO4/c1-2-22-13-5-3-12(4-6-13)9-18(21)20-15-11-17-16(10-14(15)19)23-7-8-24-17/h3-6,10-11H,2,7-9H2,1H3,(H,20,21)
InChIKeyAVZGZXWTJHYKBQ-UHFFFAOYSA-N
MW392.25 g/mol
LogP3.80
Rot. Bonds5

About N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-ethoxyphenyl)acetamide

N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-ethoxyphenyl)acetamide (PubChem CID 26902730) has the molecular formula C18H18BrNO4 and a molecular weight of 392.25 g/mol. Its IUPAC name is N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-ethoxyphenyl)acetamide
PubChem CID26902730
Molecular FormulaC18H18BrNO4
Molecular Weight392.25 g/mol
Exact Mass391.04
IUPAC NameN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)Nc2cc3c(cc2Br)OCCO3)cc1
InChIInChI=1S/C18H18BrNO4/c1-2-22-13-5-3-12(4-6-13)9-18(21)20-15-11-17-16(10-14(15)19)23-7-8-24-17/h3-6,10-11H,2,7-9H2,1H3,(H,20,21)
InChIKeyAVZGZXWTJHYKBQ-UHFFFAOYSA-N
XLogP3.80
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-ethoxyphenyl)acetamide 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-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(2-ethoxyphenyl)propanamide
CID 32999398
ethyl 4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-4-oxobutanoate
CID 33180296
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 26902755
2-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)acetamide
CID 87044762
2-(4-aminophenyl)-N-(2-bromo-4,5-diethoxyphenyl)acetamide
CID 119745056
2-(4-bromophenyl)-N-(4-ethoxyphenyl)acetamide
CID 2268503
N-(4-bromophenyl)-2-(4-ethoxyphenyl)acetamide
CID 8719858
2-(4-aminophenyl)-N-(2-bromo-4,5-diethoxyphenyl)acetamide;hydrochloride
CID 119745055
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-prop-2-enoxybenzamide
CID 37352396
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 26903055
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]acetamide
CID 55590655
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[(4-methoxyphenyl)carbamoylamino]propanamide
CID 32766427

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-ethoxyphenyl)acetamide?
The IUPAC name of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-ethoxyphenyl)acetamide (CID 26902730) is N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-ethoxyphenyl)acetamide?
The canonical SMILES for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-ethoxyphenyl)acetamide is CCOc1ccc(CC(=O)Nc2cc3c(cc2Br)OCCO3)cc1.
What is the InChIKey of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-ethoxyphenyl)acetamide?
The InChIKey is AVZGZXWTJHYKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO4/c1-2-22-13-5-3-12(4-6-13)9-18(21)20-15-11-17-16(10-14(15)19)23-7-8-24-17/h3-6,10-11H,2,7-9H2,1H3,(H,20,21).
What are the key properties of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-ethoxyphenyl)acetamide?
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-ethoxyphenyl)acetamide has a molecular weight of 392.25 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 26902730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).