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

C16H18FN3O4 — CID 123252322

IUPAC2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]-N-(2-hydroxyethyl)acetamide
SMILESO=C(CN1Cc2c(F)cc(N3CCCC3=O)cc2C1=O)NCCO
InChIInChI=1S/C16H18FN3O4/c17-13-7-10(20-4-1-2-15(20)23)6-11-12(13)8-19(16(11)24)9-14(22)18-3-5-21/h6-7,21H,1-5,8-9H2,(H,18,22)
InChIKeyLTWRZWBNGUUGHE-UHFFFAOYSA-N
MW335.34 g/mol
LogP0.02
Rot. Bonds5

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

2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]-N-(2-hydroxyethyl)acetamide (PubChem CID 123252322) has the molecular formula C16H18FN3O4 and a molecular weight of 335.34 g/mol. Its IUPAC name is 2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]-N-(2-hydroxyethyl)acetamide
PubChem CID123252322
Molecular FormulaC16H18FN3O4
Molecular Weight335.34 g/mol
Exact Mass335.13
IUPAC Name2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]-N-(2-hydroxyethyl)acetamide
SMILESO=C(CN1Cc2c(F)cc(N3CCCC3=O)cc2C1=O)NCCO
InChIInChI=1S/C16H18FN3O4/c17-13-7-10(20-4-1-2-15(20)23)6-11-12(13)8-19(16(11)24)9-14(22)18-3-5-21/h6-7,21H,1-5,8-9H2,(H,18,22)
InChIKeyLTWRZWBNGUUGHE-UHFFFAOYSA-N
XLogP0.02
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]-N-(2-hydroxyethyl)acetamide (CID 123252322) is 2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]-N-(2-hydroxyethyl)acetamide is O=C(CN1Cc2c(F)cc(N3CCCC3=O)cc2C1=O)NCCO.
What is the InChIKey of 2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]-N-(2-hydroxyethyl)acetamide?
The InChIKey is LTWRZWBNGUUGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O4/c17-13-7-10(20-4-1-2-15(20)23)6-11-12(13)8-19(16(11)24)9-14(22)18-3-5-21/h6-7,21H,1-5,8-9H2,(H,18,22).
What are the key properties of 2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]-N-(2-hydroxyethyl)acetamide?
2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 335.34 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 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-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 123252322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).