N-[2-(3-fluoro-6-hydroxy-2,5-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide

C15H12FN3O6 — CID 91346708

IUPACN-[2-(3-fluoro-6-hydroxy-2,5-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
SMILESCC(=O)Nc1cccc2c1C(=O)N(C1(F)CC(=O)C(O)NC1=O)C2=O
InChIInChI=1S/C15H12FN3O6/c1-6(20)17-8-4-2-3-7-10(8)13(24)19(12(7)23)15(16)5-9(21)11(22)18-14(15)25/h2-4,11,22H,5H2,1H3,(H,17,20)(H,18,25)
InChIKeyYXDKHVWSLVRYCV-UHFFFAOYSA-N
MW349.27 g/mol
LogP-0.69
Rot. Bonds2

About N-[2-(3-fluoro-6-hydroxy-2,5-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide

N-[2-(3-fluoro-6-hydroxy-2,5-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide (PubChem CID 91346708) has the molecular formula C15H12FN3O6 and a molecular weight of 349.27 g/mol. Its IUPAC name is N-[2-(3-fluoro-6-hydroxy-2,5-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3-fluoro-6-hydroxy-2,5-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
PubChem CID91346708
Molecular FormulaC15H12FN3O6
Molecular Weight349.27 g/mol
Exact Mass349.07
IUPAC NameN-[2-(3-fluoro-6-hydroxy-2,5-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
SMILESCC(=O)Nc1cccc2c1C(=O)N(C1(F)CC(=O)C(O)NC1=O)C2=O
InChIInChI=1S/C15H12FN3O6/c1-6(20)17-8-4-2-3-7-10(8)13(24)19(12(7)23)15(16)5-9(21)11(22)18-14(15)25/h2-4,11,22H,5H2,1H3,(H,17,20)(H,18,25)
InChIKeyYXDKHVWSLVRYCV-UHFFFAOYSA-N
XLogP-0.69
TPSA132.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(6-hydroxy-3-methyl-2,5-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
CID 91166963
2-(3-fluoro-6-hydroxy-2,5-dioxopiperidin-3-yl)-4-methylisoindole-1,3-dione
CID 90687936
N-[[3-(4-acetamido-1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl]methyl]acetamide
CID 58572144
N-(2-methyl-1,3-dioxoisoindol-4-yl)cyclobutanecarboxamide
CID 47074120
2-(3-fluoro-5-hydroxy-2,6-dioxopiperidin-3-yl)-4-methylisoindole-1,3-dione
CID 22241221
N-[2-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-4-yl]acetamide
CID 3898701
N-(1,3,4-trioxoisoquinolin-5-yl)acetamide
CID 11572178
N-(1,3-dioxo-2-benzofuran-4-yl)acetamide;ethane
CID 143956506
N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]benzamide
CID 142663798
methane;N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide
CID 158707870
2-amino-N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
CID 11530279
N-[2-[(1S)-1-fluoro-2-[(S)-methylsulfinyl]ethyl]-1,3-dioxoisoindol-4-yl]acetamide
CID 170115852

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoro-6-hydroxy-2,5-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide?
The IUPAC name of N-[2-(3-fluoro-6-hydroxy-2,5-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide (CID 91346708) is N-[2-(3-fluoro-6-hydroxy-2,5-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide.
What is the SMILES notation for N-[2-(3-fluoro-6-hydroxy-2,5-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide?
The canonical SMILES for N-[2-(3-fluoro-6-hydroxy-2,5-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide is CC(=O)Nc1cccc2c1C(=O)N(C1(F)CC(=O)C(O)NC1=O)C2=O.
What is the InChIKey of N-[2-(3-fluoro-6-hydroxy-2,5-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide?
The InChIKey is YXDKHVWSLVRYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O6/c1-6(20)17-8-4-2-3-7-10(8)13(24)19(12(7)23)15(16)5-9(21)11(22)18-14(15)25/h2-4,11,22H,5H2,1H3,(H,17,20)(H,18,25).
What are the key properties of N-[2-(3-fluoro-6-hydroxy-2,5-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide?
N-[2-(3-fluoro-6-hydroxy-2,5-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide has a molecular weight of 349.27 g/mol, XLogP of -0.69, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoro-6-hydroxy-2,5-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide is sourced from PubChem (CID 91346708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).