N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-prop-2-enoxybenzamide

C18H16BrNO4 — CID 37352396

IUPACN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2cc3c(cc2Br)OCCO3)cc1
InChIInChI=1S/C18H16BrNO4/c1-2-7-22-13-5-3-12(4-6-13)18(21)20-15-11-17-16(10-14(15)19)23-8-9-24-17/h2-6,10-11H,1,7-9H2,(H,20,21)
InChIKeyQZADJRJCCQHBFM-UHFFFAOYSA-N
MW390.23 g/mol
LogP4.04
Rot. Bonds5

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

N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-prop-2-enoxybenzamide (PubChem CID 37352396) has the molecular formula C18H16BrNO4 and a molecular weight of 390.23 g/mol. Its IUPAC name is N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-prop-2-enoxybenzamide
PubChem CID37352396
Molecular FormulaC18H16BrNO4
Molecular Weight390.23 g/mol
Exact Mass389.03
IUPAC NameN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2cc3c(cc2Br)OCCO3)cc1
InChIInChI=1S/C18H16BrNO4/c1-2-7-22-13-5-3-12(4-6-13)18(21)20-15-11-17-16(10-14(15)19)23-8-9-24-17/h2-6,10-11H,1,7-9H2,(H,20,21)
InChIKeyQZADJRJCCQHBFM-UHFFFAOYSA-N
XLogP4.04
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.23
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-prop-2-enoxybenzamide 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-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-prop-2-enoxybenzamide
CID 39821289
N-(4-prop-2-enoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 100617165
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-prop-2-enoxybenzamide
CID 133230488
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 17499645
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-ethoxyphenyl)acetamide
CID 26902730
N'-(4-bromobenzoyl)-4-prop-2-enoxybenzohydrazide
CID 54790852
N-(2-hydroxy-5-methylphenyl)-4-prop-2-enoxybenzamide
CID 4945159
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-fluoropyridine-4-carboxamide
CID 61292718
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 26903055
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-phenylmethoxybenzamide
CID 46443447
N-(4-iodophenyl)-4-prop-2-enoxybenzamide
CID 4945151
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(tert-butylsulfamoyl)benzamide
CID 29472703

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-prop-2-enoxybenzamide?
The IUPAC name of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-prop-2-enoxybenzamide (CID 37352396) is N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-prop-2-enoxybenzamide?
The canonical SMILES for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)Nc2cc3c(cc2Br)OCCO3)cc1.
What is the InChIKey of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-prop-2-enoxybenzamide?
The InChIKey is QZADJRJCCQHBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO4/c1-2-7-22-13-5-3-12(4-6-13)18(21)20-15-11-17-16(10-14(15)19)23-8-9-24-17/h2-6,10-11H,1,7-9H2,(H,20,21).
What are the key properties of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-prop-2-enoxybenzamide?
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-prop-2-enoxybenzamide has a molecular weight of 390.23 g/mol, XLogP of 4.04, 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)-4-prop-2-enoxybenzamide is sourced from PubChem (CID 37352396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).