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

C15H12BrNO4 — CID 6215097

IUPAC(E)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1cc2c(cc1Br)OCCO2
InChIInChI=1S/C15H12BrNO4/c16-11-8-13-14(21-7-6-20-13)9-12(11)17-15(18)4-3-10-2-1-5-19-10/h1-5,8-9H,6-7H2,(H,17,18)/b4-3+
InChIKeyKOGNIWPSGHGJBP-ONEGZZNKSA-N
MW350.17 g/mol
LogP3.47
Rot. Bonds3

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

(E)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(furan-2-yl)prop-2-enamide (PubChem CID 6215097) has the molecular formula C15H12BrNO4 and a molecular weight of 350.17 g/mol. Its IUPAC name is (E)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(furan-2-yl)prop-2-enamide
PubChem CID6215097
Molecular FormulaC15H12BrNO4
Molecular Weight350.17 g/mol
Exact Mass348.99
IUPAC Name(E)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1cc2c(cc1Br)OCCO2
InChIInChI=1S/C15H12BrNO4/c16-11-8-13-14(21-7-6-20-13)9-12(11)17-15(18)4-3-10-2-1-5-19-10/h1-5,8-9H,6-7H2,(H,17,18)/b4-3+
InChIKeyKOGNIWPSGHGJBP-ONEGZZNKSA-N
XLogP3.47
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.17
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(furan-2-yl)prop-2-enamide 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

(E)-N-(2-bromo-5-iodophenyl)-3-(furan-2-yl)prop-2-enamide
CID 113231012
(E)-N-(5-bromo-4-fluoro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide
CID 103274604
(E)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[2-(difluoromethoxy)phenyl]prop-2-enamide
CID 16597702
(E)-3-(furan-2-yl)-N-[5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]naphthalen-1-yl]prop-2-enamide
CID 1326165
(E)-N-(3-bromophenyl)-3-(furan-2-yl)prop-2-enamide
CID 963809
N-(4-bromo-3-fluorophenyl)-3-(furan-2-yl)prop-2-enamide
CID 77069436
(E)-N-(4-bromo-2,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide
CID 880817
N-(4-bromo-2,6-dimethylphenyl)-3-(furan-2-yl)prop-2-enamide
CID 880816
methyl 5-bromo-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 8001465
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
3-(furan-2-yl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 4799293
(E)-3-(furan-2-yl)-N-naphthalen-1-ylprop-2-enamide
CID 964287

Frequently Asked Questions

What is the IUPAC name of (E)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(furan-2-yl)prop-2-enamide (CID 6215097) is (E)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(furan-2-yl)prop-2-enamide is O=C(/C=C/c1ccco1)Nc1cc2c(cc1Br)OCCO2.
What is the InChIKey of (E)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(furan-2-yl)prop-2-enamide?
The InChIKey is KOGNIWPSGHGJBP-ONEGZZNKSA-N. The full InChI is InChI=1S/C15H12BrNO4/c16-11-8-13-14(21-7-6-20-13)9-12(11)17-15(18)4-3-10-2-1-5-19-10/h1-5,8-9H,6-7H2,(H,17,18)/b4-3+.
What are the key properties of (E)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(furan-2-yl)prop-2-enamide?
(E)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(furan-2-yl)prop-2-enamide has a molecular weight of 350.17 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 6215097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).