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

C23H20BrNO3 — CID 47016516

IUPAC(E)-3-[5-(4-bromophenyl)furan-2-yl]-1-(3-morpholin-4-ylphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(-c2ccc(Br)cc2)o1)c1cccc(N2CCOCC2)c1
InChIInChI=1S/C23H20BrNO3/c24-19-6-4-17(5-7-19)23-11-9-21(28-23)8-10-22(26)18-2-1-3-20(16-18)25-12-14-27-15-13-25/h1-11,16H,12-15H2/b10-8+
InChIKeyMLFHYBQTDSFKGX-CSKARUKUSA-N
MW438.32 g/mol
LogP5.44
Rot. Bonds5

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

(E)-3-[5-(4-bromophenyl)furan-2-yl]-1-(3-morpholin-4-ylphenyl)prop-2-en-1-one (PubChem CID 47016516) has the molecular formula C23H20BrNO3 and a molecular weight of 438.32 g/mol. Its IUPAC name is (E)-3-[5-(4-bromophenyl)furan-2-yl]-1-(3-morpholin-4-ylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[5-(4-bromophenyl)furan-2-yl]-1-(3-morpholin-4-ylphenyl)prop-2-en-1-one
PubChem CID47016516
Molecular FormulaC23H20BrNO3
Molecular Weight438.32 g/mol
Exact Mass437.06
IUPAC Name(E)-3-[5-(4-bromophenyl)furan-2-yl]-1-(3-morpholin-4-ylphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(-c2ccc(Br)cc2)o1)c1cccc(N2CCOCC2)c1
InChIInChI=1S/C23H20BrNO3/c24-19-6-4-17(5-7-19)23-11-9-21(28-23)8-10-22(26)18-2-1-3-20(16-18)25-12-14-27-15-13-25/h1-11,16H,12-15H2/b10-8+
InChIKeyMLFHYBQTDSFKGX-CSKARUKUSA-N
XLogP5.44
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.32
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-1-(3-morpholin-4-ylphenyl)prop-2-en-1-one
CID 47016523
(E)-3-[5-(4-bromophenyl)furan-2-yl]-1-(3-fluoro-4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 47006164
(E)-1-(4-bromophenyl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 8685378
3-[3-[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]-1,3-oxazolidin-2-one
CID 60602506
ethyl 4-[5-[(E)-3-oxo-3-[3-(tetrazol-1-yl)phenyl]prop-1-enyl]furan-2-yl]benzoate
CID 8814170
N'-[3-[5-(4-bromophenyl)furan-2-yl]prop-2-enoyl]benzohydrazide
CID 1188722
1-(4-morpholin-4-ylphenyl)-3-[4-[3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 171481806
morpholin-4-yl-(3-morpholin-4-ylphenyl)methanone
CID 22057964
1-(3-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-en-1-one
CID 4213357
(1E)-1-[5-(4-bromophenyl)furan-2-yl]-5-(furan-2-yl)penta-1,4-dien-3-one
CID 1352039
(E)-3-[5-(4-bromophenyl)furan-2-yl]-N-phenylprop-2-enamide
CID 1352340
(E)-3-[5-(3,5-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one
CID 5349050

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(4-bromophenyl)furan-2-yl]-1-(3-morpholin-4-ylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-[5-(4-bromophenyl)furan-2-yl]-1-(3-morpholin-4-ylphenyl)prop-2-en-1-one (CID 47016516) is (E)-3-[5-(4-bromophenyl)furan-2-yl]-1-(3-morpholin-4-ylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-[5-(4-bromophenyl)furan-2-yl]-1-(3-morpholin-4-ylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-[5-(4-bromophenyl)furan-2-yl]-1-(3-morpholin-4-ylphenyl)prop-2-en-1-one is O=C(/C=C/c1ccc(-c2ccc(Br)cc2)o1)c1cccc(N2CCOCC2)c1.
What is the InChIKey of (E)-3-[5-(4-bromophenyl)furan-2-yl]-1-(3-morpholin-4-ylphenyl)prop-2-en-1-one?
The InChIKey is MLFHYBQTDSFKGX-CSKARUKUSA-N. The full InChI is InChI=1S/C23H20BrNO3/c24-19-6-4-17(5-7-19)23-11-9-21(28-23)8-10-22(26)18-2-1-3-20(16-18)25-12-14-27-15-13-25/h1-11,16H,12-15H2/b10-8+.
What are the key properties of (E)-3-[5-(4-bromophenyl)furan-2-yl]-1-(3-morpholin-4-ylphenyl)prop-2-en-1-one?
(E)-3-[5-(4-bromophenyl)furan-2-yl]-1-(3-morpholin-4-ylphenyl)prop-2-en-1-one has a molecular weight of 438.32 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(4-bromophenyl)furan-2-yl]-1-(3-morpholin-4-ylphenyl)prop-2-en-1-one is sourced from PubChem (CID 47016516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).