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

C18H22FN3O3 — CID 123562410

IUPACN,N-diethyl-2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide
SMILESCCN(CC)C(=O)CN1Cc2c(F)cc(N3CCCC3=O)cc2C1=O
InChIInChI=1S/C18H22FN3O3/c1-3-20(4-2)17(24)11-21-10-14-13(18(21)25)8-12(9-15(14)19)22-7-5-6-16(22)23/h8-9H,3-7,10-11H2,1-2H3
InChIKeySACUXCXTMKPQIK-UHFFFAOYSA-N
MW347.39 g/mol
LogP1.78
Rot. Bonds5

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

N,N-diethyl-2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide (PubChem CID 123562410) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is N,N-diethyl-2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide
PubChem CID123562410
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC NameN,N-diethyl-2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide
SMILESCCN(CC)C(=O)CN1Cc2c(F)cc(N3CCCC3=O)cc2C1=O
InChIInChI=1S/C18H22FN3O3/c1-3-20(4-2)17(24)11-21-10-14-13(18(21)25)8-12(9-15(14)19)22-7-5-6-16(22)23/h8-9H,3-7,10-11H2,1-2H3
InChIKeySACUXCXTMKPQIK-UHFFFAOYSA-N
XLogP1.78
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide (CID 123562410) is N,N-diethyl-2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide is CCN(CC)C(=O)CN1Cc2c(F)cc(N3CCCC3=O)cc2C1=O.
What is the InChIKey of N,N-diethyl-2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide?
The InChIKey is SACUXCXTMKPQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3/c1-3-20(4-2)17(24)11-21-10-14-13(18(21)25)8-12(9-15(14)19)22-7-5-6-16(22)23/h8-9H,3-7,10-11H2,1-2H3.
What are the key properties of N,N-diethyl-2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide?
N,N-diethyl-2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide has a molecular weight of 347.39 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[7-fluoro-3-oxo-5-(2-oxopyrrolidin-1-yl)-1H-isoindol-2-yl]acetamide is sourced from PubChem (CID 123562410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).