2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one

C21H16FNO5 — CID 2935390

IUPAC2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
SMILESCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)C2c2ccc(F)cc2)o1
InChIInChI=1S/C21H16FNO5/c1-12-4-9-16(28-12)19(24)17-18(13-5-7-14(22)8-6-13)23(21(26)20(17)25)11-15-3-2-10-27-15/h2-10,18,25H,11H2,1H3
InChIKeyPAPIPFQVMCREPT-UHFFFAOYSA-N
MW381.36 g/mol
LogP4.10
Rot. Bonds5

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

2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 2935390) has the molecular formula C21H16FNO5 and a molecular weight of 381.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
PubChem CID2935390
Molecular FormulaC21H16FNO5
Molecular Weight381.36 g/mol
Exact Mass381.10
IUPAC Name2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
SMILESCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)C2c2ccc(F)cc2)o1
InChIInChI=1S/C21H16FNO5/c1-12-4-9-16(28-12)19(24)17-18(13-5-7-14(22)8-6-13)23(21(26)20(17)25)11-15-3-2-10-27-15/h2-10,18,25H,11H2,1H3
InChIKeyPAPIPFQVMCREPT-UHFFFAOYSA-N
XLogP4.10
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one (CID 2935390) is 2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one is Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)C2c2ccc(F)cc2)o1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is PAPIPFQVMCREPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO5/c1-12-4-9-16(28-12)19(24)17-18(13-5-7-14(22)8-6-13)23(21(26)20(17)25)11-15-3-2-10-27-15/h2-10,18,25H,11H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one?
2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 381.36 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 2935390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).