4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione

C22H23FN2O5 — CID 91165975

IUPAC4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
SMILESO=C1C(=O)N(CCN2CCOCC2)CC1C(=O)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/h1-6,18H,7-14H2
InChIKeyLUOJWSRNSSIFDD-UHFFFAOYSA-N
MW414.43 g/mol
LogP1.55
Rot. Bonds7

About 4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione

4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione (PubChem CID 91165975) has the molecular formula C22H23FN2O5 and a molecular weight of 414.43 g/mol. Its IUPAC name is 4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
PubChem CID91165975
Molecular FormulaC22H23FN2O5
Molecular Weight414.43 g/mol
Exact Mass414.16
IUPAC Name4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
SMILESO=C1C(=O)N(CCN2CCOCC2)CC1C(=O)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/h1-6,18H,7-14H2
InChIKeyLUOJWSRNSSIFDD-UHFFFAOYSA-N
XLogP1.55
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione?
The IUPAC name of 4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione (CID 91165975) is 4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione.
What is the SMILES notation for 4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione?
The canonical SMILES for 4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione is O=C1C(=O)N(CCN2CCOCC2)CC1C(=O)c1ccc(Cc2ccc(F)cc2)o1.
What is the InChIKey of 4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione?
The InChIKey is LUOJWSRNSSIFDD-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/h1-6,18H,7-14H2.
What are the key properties of 4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione?
4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione has a molecular weight of 414.43 g/mol, XLogP of 1.55, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 91165975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).