3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one

C22H23FN2O5 — CID 22937735

IUPAC3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CCN2CCOCC2)C1)c1ccc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C22H23FN2O5/c23-16-3-1-15(2-4-16)13-17-5-6-19(30-17)20(26)18-14-25(22(28)21(18)27)8-7-24-9-11-29-12-10-24/h1-6,27H,7-14H2
InChIKeyVCRCDFACYWMKLH-UHFFFAOYSA-N
MW414.43 g/mol
LogP2.18
Rot. Bonds7

About 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one

3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one (PubChem CID 22937735) has the molecular formula C22H23FN2O5 and a molecular weight of 414.43 g/mol. Its IUPAC name is 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
PubChem CID22937735
Molecular FormulaC22H23FN2O5
Molecular Weight414.43 g/mol
Exact Mass414.16
IUPAC Name3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CCN2CCOCC2)C1)c1ccc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C22H23FN2O5/c23-16-3-1-15(2-4-16)13-17-5-6-19(30-17)20(26)18-14-25(22(28)21(18)27)8-7-24-9-11-29-12-10-24/h1-6,27H,7-14H2
InChIKeyVCRCDFACYWMKLH-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The IUPAC name of 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one (CID 22937735) is 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(CCN2CCOCC2)C1)c1ccc(Cc2ccc(F)cc2)o1.
What is the InChIKey of 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
The InChIKey is VCRCDFACYWMKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O5/c23-16-3-1-15(2-4-16)13-17-5-6-19(30-17)20(26)18-14-25(22(28)21(18)27)8-7-24-9-11-29-12-10-24/h1-6,27H,7-14H2.
What are the key properties of 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one?
3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one has a molecular weight of 414.43 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 22937735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).