N-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formylbenzamide

C13H11FN2O4 — CID 134581835

IUPACN-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formylbenzamide
SMILESO=Cc1cc(F)ccc1C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C13H11FN2O4/c14-8-1-2-9(7(5-8)6-17)12(19)15-10-3-4-11(18)16-13(10)20/h1-2,5-6,10H,3-4H2,(H,15,19)(H,16,18,20)
InChIKeyHUXSNKRGCWWIRF-UHFFFAOYSA-N
MW278.24 g/mol
LogP0.17
Rot. Bonds3

About N-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formylbenzamide

N-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formylbenzamide (PubChem CID 134581835) has the molecular formula C13H11FN2O4 and a molecular weight of 278.24 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formylbenzamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formylbenzamide
PubChem CID134581835
Molecular FormulaC13H11FN2O4
Molecular Weight278.24 g/mol
Exact Mass278.07
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formylbenzamide
SMILESO=Cc1cc(F)ccc1C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C13H11FN2O4/c14-8-1-2-9(7(5-8)6-17)12(19)15-10-3-4-11(18)16-13(10)20/h1-2,5-6,10H,3-4H2,(H,15,19)(H,16,18,20)
InChIKeyHUXSNKRGCWWIRF-UHFFFAOYSA-N
XLogP0.17
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formylbenzamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formylbenzamide (CID 134581835) is N-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formylbenzamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formylbenzamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formylbenzamide is O=Cc1cc(F)ccc1C(=O)NC1CCC(=O)NC1=O.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formylbenzamide?
The InChIKey is HUXSNKRGCWWIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O4/c14-8-1-2-9(7(5-8)6-17)12(19)15-10-3-4-11(18)16-13(10)20/h1-2,5-6,10H,3-4H2,(H,15,19)(H,16,18,20).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formylbenzamide?
N-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formylbenzamide has a molecular weight of 278.24 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formylbenzamide is sourced from PubChem (CID 134581835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).