2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide

C14H14FN3O3 — CID 123179157

IUPAC2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide
SMILESNC(=O)CN1Cc2c(F)cc(N3CCCC3=O)cc2C1=O
InChIInChI=1S/C14H14FN3O3/c15-11-5-8(18-3-1-2-13(18)20)4-9-10(11)6-17(14(9)21)7-12(16)19/h4-5H,1-3,6-7H2,(H2,16,19)
InChIKeyLYMXJNMCSAZYES-UHFFFAOYSA-N
MW291.28 g/mol
LogP0.39
Rot. Bonds3

About 2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide

2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide (PubChem CID 123179157) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is 2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide.

Molecular Properties

Compound Name2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide
PubChem CID123179157
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide
SMILESNC(=O)CN1Cc2c(F)cc(N3CCCC3=O)cc2C1=O
InChIInChI=1S/C14H14FN3O3/c15-11-5-8(18-3-1-2-13(18)20)4-9-10(11)6-17(14(9)21)7-12(16)19/h4-5H,1-3,6-7H2,(H2,16,19)
InChIKeyLYMXJNMCSAZYES-UHFFFAOYSA-N
XLogP0.39
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide?
The IUPAC name of 2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide (CID 123179157) is 2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide.
What is the SMILES notation for 2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide?
The canonical SMILES for 2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide is NC(=O)CN1Cc2c(F)cc(N3CCCC3=O)cc2C1=O.
What is the InChIKey of 2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide?
The InChIKey is LYMXJNMCSAZYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3/c15-11-5-8(18-3-1-2-13(18)20)4-9-10(11)6-17(14(9)21)7-12(16)19/h4-5H,1-3,6-7H2,(H2,16,19).
What are the key properties of 2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide?
2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide has a molecular weight of 291.28 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide is sourced from PubChem (CID 123179157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).