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

C23H18FNO4 — CID 22937787

IUPAC1-benzyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(Cc2ccccc2)C1)c1ccc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C23H18FNO4/c24-17-8-6-15(7-9-17)12-18-10-11-20(29-18)21(26)19-14-25(23(28)22(19)27)13-16-4-2-1-3-5-16/h1-11,27H,12-14H2
InChIKeyMQTYCTUJTWYSJI-UHFFFAOYSA-N
MW391.40 g/mol
LogP4.05
Rot. Bonds6

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

1-benzyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one (PubChem CID 22937787) has the molecular formula C23H18FNO4 and a molecular weight of 391.40 g/mol. Its IUPAC name is 1-benzyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-benzyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one
PubChem CID22937787
Molecular FormulaC23H18FNO4
Molecular Weight391.40 g/mol
Exact Mass391.12
IUPAC Name1-benzyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(Cc2ccccc2)C1)c1ccc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C23H18FNO4/c24-17-8-6-15(7-9-17)12-18-10-11-20(29-18)21(26)19-14-25(23(28)22(19)27)13-16-4-2-1-3-5-16/h1-11,27H,12-14H2
InChIKeyMQTYCTUJTWYSJI-UHFFFAOYSA-N
XLogP4.05
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 1-benzyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one (CID 22937787) is 1-benzyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 1-benzyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 1-benzyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(Cc2ccccc2)C1)c1ccc(Cc2ccc(F)cc2)o1.
What is the InChIKey of 1-benzyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is MQTYCTUJTWYSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO4/c24-17-8-6-15(7-9-17)12-18-10-11-20(29-18)21(26)19-14-25(23(28)22(19)27)13-16-4-2-1-3-5-16/h1-11,27H,12-14H2.
What are the key properties of 1-benzyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one?
1-benzyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 391.40 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 22937787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).