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

C13H13FN2O4 — CID 81285163

IUPACN-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC2CCC(=O)NC2=O)ccc1F
InChIInChI=1S/C13H13FN2O4/c1-20-10-6-7(2-3-8(10)14)12(18)15-9-4-5-11(17)16-13(9)19/h2-3,6,9H,4-5H2,1H3,(H,15,18)(H,16,17,19)
InChIKeyJZOXZWDSIZSLCV-UHFFFAOYSA-N
MW280.25 g/mol
LogP0.37
Rot. Bonds3

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

N-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methoxybenzamide (PubChem CID 81285163) has the molecular formula C13H13FN2O4 and a molecular weight of 280.25 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methoxybenzamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methoxybenzamide
PubChem CID81285163
Molecular FormulaC13H13FN2O4
Molecular Weight280.25 g/mol
Exact Mass280.09
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC2CCC(=O)NC2=O)ccc1F
InChIInChI=1S/C13H13FN2O4/c1-20-10-6-7(2-3-8(10)14)12(18)15-9-4-5-11(17)16-13(9)19/h2-3,6,9H,4-5H2,1H3,(H,15,18)(H,16,17,19)
InChIKeyJZOXZWDSIZSLCV-UHFFFAOYSA-N
XLogP0.37
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-3-methoxybenzamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methoxybenzamide (CID 81285163) is N-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methoxybenzamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methoxybenzamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methoxybenzamide is COc1cc(C(=O)NC2CCC(=O)NC2=O)ccc1F.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methoxybenzamide?
The InChIKey is JZOXZWDSIZSLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O4/c1-20-10-6-7(2-3-8(10)14)12(18)15-9-4-5-11(17)16-13(9)19/h2-3,6,9H,4-5H2,1H3,(H,15,18)(H,16,17,19).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methoxybenzamide?
N-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methoxybenzamide has a molecular weight of 280.25 g/mol, XLogP of 0.37, 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-3-methoxybenzamide is sourced from PubChem (CID 81285163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).