(E)-3-(5-bromofuran-2-yl)-N-[2-(4-chlorophenyl)ethyl]prop-2-enamide

C15H13BrClNO2 — CID 26711709

IUPAC(E)-3-(5-bromofuran-2-yl)-N-[2-(4-chlorophenyl)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(Br)o1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C15H13BrClNO2/c16-14-7-5-13(20-14)6-8-15(19)18-10-9-11-1-3-12(17)4-2-11/h1-8H,9-10H2,(H,18,19)/b8-6+
InChIKeyUZKOYMLLYCMKQP-SOFGYWHQSA-N
MW354.63 g/mol
LogP4.07
Rot. Bonds5

About (E)-3-(5-bromofuran-2-yl)-N-[2-(4-chlorophenyl)ethyl]prop-2-enamide

(E)-3-(5-bromofuran-2-yl)-N-[2-(4-chlorophenyl)ethyl]prop-2-enamide (PubChem CID 26711709) has the molecular formula C15H13BrClNO2 and a molecular weight of 354.63 g/mol. Its IUPAC name is (E)-3-(5-bromofuran-2-yl)-N-[2-(4-chlorophenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-bromofuran-2-yl)-N-[2-(4-chlorophenyl)ethyl]prop-2-enamide
PubChem CID26711709
Molecular FormulaC15H13BrClNO2
Molecular Weight354.63 g/mol
Exact Mass352.98
IUPAC Name(E)-3-(5-bromofuran-2-yl)-N-[2-(4-chlorophenyl)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(Br)o1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C15H13BrClNO2/c16-14-7-5-13(20-14)6-8-15(19)18-10-9-11-1-3-12(17)4-2-11/h1-8H,9-10H2,(H,18,19)/b8-6+
InChIKeyUZKOYMLLYCMKQP-SOFGYWHQSA-N
XLogP4.07
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.63
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-(5-bromofuran-2-yl)-N-[2-(4-chlorophenyl)ethyl]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

2-[[2-[[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]amino]acetyl]amino]acetic acid
CID 43387469
(E)-3-(5-bromofuran-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 2319380
(E)-N-[2-(4-fluorophenyl)ethyl]-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 9080802
1-[[[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113311917
(E)-N-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 9217685
2-[4-[2-[3-(4-chlorophenyl)prop-2-enoylamino]ethyl]phenoxy]-2-methylpropanoic acid
CID 54142640
(E)-3-(5-bromofuran-2-yl)-N-(5-chloro-2-methoxyphenyl)prop-2-enamide
CID 26582535
2-(4-chlorophenyl)ethylcarbamic acid
CID 57014413
N-[(3-acetamidophenyl)methyl]-3-(5-bromofuran-2-yl)prop-2-enamide
CID 47093706
(E)-3-(furan-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 790283
3-(5-bromofuran-2-yl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide
CID 79031574
(E)-3-(4-bromophenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
CID 90355915

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-bromofuran-2-yl)-N-[2-(4-chlorophenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(5-bromofuran-2-yl)-N-[2-(4-chlorophenyl)ethyl]prop-2-enamide (CID 26711709) is (E)-3-(5-bromofuran-2-yl)-N-[2-(4-chlorophenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(5-bromofuran-2-yl)-N-[2-(4-chlorophenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(5-bromofuran-2-yl)-N-[2-(4-chlorophenyl)ethyl]prop-2-enamide is O=C(/C=C/c1ccc(Br)o1)NCCc1ccc(Cl)cc1.
What is the InChIKey of (E)-3-(5-bromofuran-2-yl)-N-[2-(4-chlorophenyl)ethyl]prop-2-enamide?
The InChIKey is UZKOYMLLYCMKQP-SOFGYWHQSA-N. The full InChI is InChI=1S/C15H13BrClNO2/c16-14-7-5-13(20-14)6-8-15(19)18-10-9-11-1-3-12(17)4-2-11/h1-8H,9-10H2,(H,18,19)/b8-6+.
What are the key properties of (E)-3-(5-bromofuran-2-yl)-N-[2-(4-chlorophenyl)ethyl]prop-2-enamide?
(E)-3-(5-bromofuran-2-yl)-N-[2-(4-chlorophenyl)ethyl]prop-2-enamide has a molecular weight of 354.63 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-bromofuran-2-yl)-N-[2-(4-chlorophenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 26711709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).