4-[3-(3-fluoroanilino)-2,5-dioxopyrrolidin-1-yl]-2-hydroxybenzoic acid

C17H13FN2O5 — CID 43826788

IUPAC4-[3-(3-fluoroanilino)-2,5-dioxopyrrolidin-1-yl]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(N2C(=O)CC(Nc3cccc(F)c3)C2=O)cc1O
InChIInChI=1S/C17H13FN2O5/c18-9-2-1-3-10(6-9)19-13-8-15(22)20(16(13)23)11-4-5-12(17(24)25)14(21)7-11/h1-7,13,19,21H,8H2,(H,24,25)
InChIKeyCVHJEWFGFRHFCR-UHFFFAOYSA-N
MW344.30 g/mol
LogP1.97
Rot. Bonds4

About 4-[3-(3-fluoroanilino)-2,5-dioxopyrrolidin-1-yl]-2-hydroxybenzoic acid

4-[3-(3-fluoroanilino)-2,5-dioxopyrrolidin-1-yl]-2-hydroxybenzoic acid (PubChem CID 43826788) has the molecular formula C17H13FN2O5 and a molecular weight of 344.30 g/mol. Its IUPAC name is 4-[3-(3-fluoroanilino)-2,5-dioxopyrrolidin-1-yl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[3-(3-fluoroanilino)-2,5-dioxopyrrolidin-1-yl]-2-hydroxybenzoic acid
PubChem CID43826788
Molecular FormulaC17H13FN2O5
Molecular Weight344.30 g/mol
Exact Mass344.08
IUPAC Name4-[3-(3-fluoroanilino)-2,5-dioxopyrrolidin-1-yl]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(N2C(=O)CC(Nc3cccc(F)c3)C2=O)cc1O
InChIInChI=1S/C17H13FN2O5/c18-9-2-1-3-10(6-9)19-13-8-15(22)20(16(13)23)11-4-5-12(17(24)25)14(21)7-11/h1-7,13,19,21H,8H2,(H,24,25)
InChIKeyCVHJEWFGFRHFCR-UHFFFAOYSA-N
XLogP1.97
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 51.97
H-Bond Donors ≤ 53
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 4-[3-(3-fluoroanilino)-2,5-dioxopyrrolidin-1-yl]-2-hydroxybenzoic acid?
The IUPAC name of 4-[3-(3-fluoroanilino)-2,5-dioxopyrrolidin-1-yl]-2-hydroxybenzoic acid (CID 43826788) is 4-[3-(3-fluoroanilino)-2,5-dioxopyrrolidin-1-yl]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[3-(3-fluoroanilino)-2,5-dioxopyrrolidin-1-yl]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[3-(3-fluoroanilino)-2,5-dioxopyrrolidin-1-yl]-2-hydroxybenzoic acid is O=C(O)c1ccc(N2C(=O)CC(Nc3cccc(F)c3)C2=O)cc1O.
What is the InChIKey of 4-[3-(3-fluoroanilino)-2,5-dioxopyrrolidin-1-yl]-2-hydroxybenzoic acid?
The InChIKey is CVHJEWFGFRHFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O5/c18-9-2-1-3-10(6-9)19-13-8-15(22)20(16(13)23)11-4-5-12(17(24)25)14(21)7-11/h1-7,13,19,21H,8H2,(H,24,25).
What are the key properties of 4-[3-(3-fluoroanilino)-2,5-dioxopyrrolidin-1-yl]-2-hydroxybenzoic acid?
4-[3-(3-fluoroanilino)-2,5-dioxopyrrolidin-1-yl]-2-hydroxybenzoic acid has a molecular weight of 344.30 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-fluoroanilino)-2,5-dioxopyrrolidin-1-yl]-2-hydroxybenzoic acid is sourced from PubChem (CID 43826788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).