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

C16H18FN3O3 — CID 123342882

IUPAC2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1Cc2c(F)cc(N3CCCC3=O)cc2C1=O
InChIInChI=1S/C16H18FN3O3/c1-18(2)15(22)9-19-8-12-11(16(19)23)6-10(7-13(12)17)20-5-3-4-14(20)21/h6-7H,3-5,8-9H2,1-2H3
InChIKeyKLQGWSBOCFMYHZ-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.00
Rot. Bonds3

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

2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]-N,N-dimethylacetamide (PubChem CID 123342882) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]-N,N-dimethylacetamide
PubChem CID123342882
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1Cc2c(F)cc(N3CCCC3=O)cc2C1=O
InChIInChI=1S/C16H18FN3O3/c1-18(2)15(22)9-19-8-12-11(16(19)23)6-10(7-13(12)17)20-5-3-4-14(20)21/h6-7H,3-5,8-9H2,1-2H3
InChIKeyKLQGWSBOCFMYHZ-UHFFFAOYSA-N
XLogP1.00
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.00
H-Bond Donors ≤ 50
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]-N,N-dimethylacetamide?
The IUPAC name of 2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]-N,N-dimethylacetamide (CID 123342882) is 2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]-N,N-dimethylacetamide is CN(C)C(=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]-N,N-dimethylacetamide?
The InChIKey is KLQGWSBOCFMYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-18(2)15(22)9-19-8-12-11(16(19)23)6-10(7-13(12)17)20-5-3-4-14(20)21/h6-7H,3-5,8-9H2,1-2H3.
What are the key properties of 2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]-N,N-dimethylacetamide?
2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]-N,N-dimethylacetamide has a molecular weight of 319.34 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 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]-N,N-dimethylacetamide is sourced from PubChem (CID 123342882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).