2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one

C22H23FN2O5 — CID 2907794

IUPAC2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CCCN2CCOCC2)C1c1ccccc1F)c1ccco1
InChIInChI=1S/C22H23FN2O5/c23-16-6-2-1-5-15(16)19-18(20(26)17-7-3-12-30-17)21(27)22(28)25(19)9-4-8-24-10-13-29-14-11-24/h1-3,5-7,12,19,27H,4,8-11,13-14H2
InChIKeyITYWUGOJTWAQCJ-UHFFFAOYSA-N
MW414.43 g/mol
LogP2.72
Rot. Bonds7

About 2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one

2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one (PubChem CID 2907794) has the molecular formula C22H23FN2O5 and a molecular weight of 414.43 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
PubChem CID2907794
Molecular FormulaC22H23FN2O5
Molecular Weight414.43 g/mol
Exact Mass414.16
IUPAC Name2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CCCN2CCOCC2)C1c1ccccc1F)c1ccco1
InChIInChI=1S/C22H23FN2O5/c23-16-6-2-1-5-15(16)19-18(20(26)17-7-3-12-30-17)21(27)22(28)25(19)9-4-8-24-10-13-29-14-11-24/h1-3,5-7,12,19,27H,4,8-11,13-14H2
InChIKeyITYWUGOJTWAQCJ-UHFFFAOYSA-N
XLogP2.72
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one (CID 2907794) is 2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)C1c1ccccc1F)c1ccco1.
What is the InChIKey of 2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one?
The InChIKey is ITYWUGOJTWAQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O5/c23-16-6-2-1-5-15(16)19-18(20(26)17-7-3-12-30-17)21(27)22(28)25(19)9-4-8-24-10-13-29-14-11-24/h1-3,5-7,12,19,27H,4,8-11,13-14H2.
What are the key properties of 2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one?
2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one has a molecular weight of 414.43 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one is sourced from PubChem (CID 2907794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).