(2,5-dioxopyrrolidin-1-yl) 5-(2,4-difluorophenyl)-2-hydroxybenzoate

C17H11F2NO5 — CID 139519532

IUPAC(2,5-dioxopyrrolidin-1-yl) 5-(2,4-difluorophenyl)-2-hydroxybenzoate
SMILESO=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(F)cc2F)ccc1O
InChIInChI=1S/C17H11F2NO5/c18-10-2-3-11(13(19)8-10)9-1-4-14(21)12(7-9)17(24)25-20-15(22)5-6-16(20)23/h1-4,7-8,21H,5-6H2
InChIKeyDHUMFPGEBBLWOH-UHFFFAOYSA-N
MW347.27 g/mol
LogP2.56
Rot. Bonds3

About (2,5-dioxopyrrolidin-1-yl) 5-(2,4-difluorophenyl)-2-hydroxybenzoate

(2,5-dioxopyrrolidin-1-yl) 5-(2,4-difluorophenyl)-2-hydroxybenzoate (PubChem CID 139519532) has the molecular formula C17H11F2NO5 and a molecular weight of 347.27 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 5-(2,4-difluorophenyl)-2-hydroxybenzoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 5-(2,4-difluorophenyl)-2-hydroxybenzoate
PubChem CID139519532
Molecular FormulaC17H11F2NO5
Molecular Weight347.27 g/mol
Exact Mass347.06
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 5-(2,4-difluorophenyl)-2-hydroxybenzoate
SMILESO=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(F)cc2F)ccc1O
InChIInChI=1S/C17H11F2NO5/c18-10-2-3-11(13(19)8-10)9-1-4-14(21)12(7-9)17(24)25-20-15(22)5-6-16(20)23/h1-4,7-8,21H,5-6H2
InChIKeyDHUMFPGEBBLWOH-UHFFFAOYSA-N
XLogP2.56
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 5-(2,4-difluorophenyl)-2-hydroxybenzoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 5-(2,4-difluorophenyl)-2-hydroxybenzoate (CID 139519532) is (2,5-dioxopyrrolidin-1-yl) 5-(2,4-difluorophenyl)-2-hydroxybenzoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 5-(2,4-difluorophenyl)-2-hydroxybenzoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 5-(2,4-difluorophenyl)-2-hydroxybenzoate is O=C(ON1C(=O)CCC1=O)c1cc(-c2ccc(F)cc2F)ccc1O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 5-(2,4-difluorophenyl)-2-hydroxybenzoate?
The InChIKey is DHUMFPGEBBLWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2NO5/c18-10-2-3-11(13(19)8-10)9-1-4-14(21)12(7-9)17(24)25-20-15(22)5-6-16(20)23/h1-4,7-8,21H,5-6H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 5-(2,4-difluorophenyl)-2-hydroxybenzoate?
(2,5-dioxopyrrolidin-1-yl) 5-(2,4-difluorophenyl)-2-hydroxybenzoate has a molecular weight of 347.27 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 5-(2,4-difluorophenyl)-2-hydroxybenzoate is sourced from PubChem (CID 139519532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).