(E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-1-(3-morpholin-4-ylphenyl)prop-2-en-1-one

C23H19Cl2NO3 — CID 47016523

IUPAC(E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-1-(3-morpholin-4-ylphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1cccc(N2CCOCC2)c1
InChIInChI=1S/C23H19Cl2NO3/c24-20-7-4-17(15-21(20)25)23-9-6-19(29-23)5-8-22(27)16-2-1-3-18(14-16)26-10-12-28-13-11-26/h1-9,14-15H,10-13H2/b8-5+
InChIKeyYGQOEVZOLKDXFJ-VMPITWQZSA-N
MW428.32 g/mol
LogP5.99
Rot. Bonds5

About (E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-1-(3-morpholin-4-ylphenyl)prop-2-en-1-one

(E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-1-(3-morpholin-4-ylphenyl)prop-2-en-1-one (PubChem CID 47016523) has the molecular formula C23H19Cl2NO3 and a molecular weight of 428.32 g/mol. Its IUPAC name is (E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-1-(3-morpholin-4-ylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-1-(3-morpholin-4-ylphenyl)prop-2-en-1-one
PubChem CID47016523
Molecular FormulaC23H19Cl2NO3
Molecular Weight428.32 g/mol
Exact Mass427.07
IUPAC Name(E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-1-(3-morpholin-4-ylphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1cccc(N2CCOCC2)c1
InChIInChI=1S/C23H19Cl2NO3/c24-20-7-4-17(15-21(20)25)23-9-6-19(29-23)5-8-22(27)16-2-1-3-18(14-16)26-10-12-28-13-11-26/h1-9,14-15H,10-13H2/b8-5+
InChIKeyYGQOEVZOLKDXFJ-VMPITWQZSA-N
XLogP5.99
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.32
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-1-(3-morpholin-4-ylphenyl)prop-2-en-1-one 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)-3-[5-(4-bromophenyl)furan-2-yl]-1-(3-morpholin-4-ylphenyl)prop-2-en-1-one
CID 47016516
3-[3-[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one
CID 60602506
(E)-1-(3,4-dichlorophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-en-1-one
CID 19569102
(E)-3-[5-(4-bromophenyl)furan-2-yl]-1-(3-fluoro-4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 47006164
1-[5-(3,4-dichlorophenyl)furan-2-yl]-5-(furan-2-yl)penta-1,4-dien-3-one
CID 1106180
(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one
CID 5349050
3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)prop-2-enamide
CID 3987720
3-[3-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-2-oxo-5-phenylpyrrol-1-yl]benzoic acid
CID 3123639
2-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1,3-diphenylpropane-1,3-dione
CID 3345300
(E)-3-[5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-yl]-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 19541521
ethyl 4-[5-[(E)-3-oxo-3-[3-(tetrazol-1-yl)phenyl]prop-1-enyl]furan-2-yl]benzoate
CID 8814170
(E)-3-[5-[(3-chloro-4-fluorophenoxy)methyl]furan-2-yl]-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 19541517

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-1-(3-morpholin-4-ylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-1-(3-morpholin-4-ylphenyl)prop-2-en-1-one (CID 47016523) is (E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-1-(3-morpholin-4-ylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-1-(3-morpholin-4-ylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-1-(3-morpholin-4-ylphenyl)prop-2-en-1-one is O=C(/C=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1cccc(N2CCOCC2)c1.
What is the InChIKey of (E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-1-(3-morpholin-4-ylphenyl)prop-2-en-1-one?
The InChIKey is YGQOEVZOLKDXFJ-VMPITWQZSA-N. The full InChI is InChI=1S/C23H19Cl2NO3/c24-20-7-4-17(15-21(20)25)23-9-6-19(29-23)5-8-22(27)16-2-1-3-18(14-16)26-10-12-28-13-11-26/h1-9,14-15H,10-13H2/b8-5+.
What are the key properties of (E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-1-(3-morpholin-4-ylphenyl)prop-2-en-1-one?
(E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-1-(3-morpholin-4-ylphenyl)prop-2-en-1-one has a molecular weight of 428.32 g/mol, XLogP of 5.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-1-(3-morpholin-4-ylphenyl)prop-2-en-1-one is sourced from PubChem (CID 47016523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).