[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 5-(4-fluorophenyl)furan-2-carboxylate

C23H18FNO5 — CID 8995399

IUPAC[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 5-(4-fluorophenyl)furan-2-carboxylate
SMILESO=C(COC(=O)c1ccc(-c2ccc(F)cc2)o1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C23H18FNO5/c24-17-8-6-15(7-9-17)20-10-11-21(30-20)23(28)29-14-19(26)16-3-1-4-18(13-16)25-12-2-5-22(25)27/h1,3-4,6-11,13H,2,5,12,14H2
InChIKeyVBJYOENWOXMUBZ-UHFFFAOYSA-N
MW407.40 g/mol
LogP4.25
Rot. Bonds6

About [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 5-(4-fluorophenyl)furan-2-carboxylate

[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 5-(4-fluorophenyl)furan-2-carboxylate (PubChem CID 8995399) has the molecular formula C23H18FNO5 and a molecular weight of 407.40 g/mol. Its IUPAC name is [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 5-(4-fluorophenyl)furan-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 5-(4-fluorophenyl)furan-2-carboxylate
PubChem CID8995399
Molecular FormulaC23H18FNO5
Molecular Weight407.40 g/mol
Exact Mass407.12
IUPAC Name[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 5-(4-fluorophenyl)furan-2-carboxylate
SMILESO=C(COC(=O)c1ccc(-c2ccc(F)cc2)o1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C23H18FNO5/c24-17-8-6-15(7-9-17)20-10-11-21(30-20)23(28)29-14-19(26)16-3-1-4-18(13-16)25-12-2-5-22(25)27/h1,3-4,6-11,13H,2,5,12,14H2
InChIKeyVBJYOENWOXMUBZ-UHFFFAOYSA-N
XLogP4.25
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-fluorophenyl)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8678174
[2-(4-methoxyphenyl)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8727594
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2-fluorophenyl)acetate
CID 8958198
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 9382212
N-[(4-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 3466711
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 5-chloro-2-methoxybenzoate
CID 8738366
N-[2-(4-fluorophenyl)-2-oxoethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110409978
[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 3-(2-oxopyrrolidin-1-yl)benzoate
CID 9124039
1-[3-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 110308578
[2-(2,4-difluoroanilino)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8726445
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 1-benzofuran-2-carboxylate
CID 8751695
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 1-phenylcyclopropane-1-carboxylate
CID 8559290

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 5-(4-fluorophenyl)furan-2-carboxylate?
The IUPAC name of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 5-(4-fluorophenyl)furan-2-carboxylate (CID 8995399) is [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 5-(4-fluorophenyl)furan-2-carboxylate.
What is the SMILES notation for [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 5-(4-fluorophenyl)furan-2-carboxylate?
The canonical SMILES for [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 5-(4-fluorophenyl)furan-2-carboxylate is O=C(COC(=O)c1ccc(-c2ccc(F)cc2)o1)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 5-(4-fluorophenyl)furan-2-carboxylate?
The InChIKey is VBJYOENWOXMUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO5/c24-17-8-6-15(7-9-17)20-10-11-21(30-20)23(28)29-14-19(26)16-3-1-4-18(13-16)25-12-2-5-22(25)27/h1,3-4,6-11,13H,2,5,12,14H2.
What are the key properties of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 5-(4-fluorophenyl)furan-2-carboxylate?
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 5-(4-fluorophenyl)furan-2-carboxylate has a molecular weight of 407.40 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 5-(4-fluorophenyl)furan-2-carboxylate is sourced from PubChem (CID 8995399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).