2-(3-oxo-1H-isoindol-2-yl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide

C19H17F3N2O3 — CID 178076823

IUPAC2-(3-oxo-1H-isoindol-2-yl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
SMILESO=C(CN1Cc2ccccc2C1=O)NCCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H17F3N2O3/c20-19(21,22)27-15-7-5-13(6-8-15)9-10-23-17(25)12-24-11-14-3-1-2-4-16(14)18(24)26/h1-8H,9-12H2,(H,23,25)
InChIKeyZIQKLCVNOYCLOL-UHFFFAOYSA-N
MW378.35 g/mol
LogP2.90
Rot. Bonds6

About 2-(3-oxo-1H-isoindol-2-yl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide

2-(3-oxo-1H-isoindol-2-yl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide (PubChem CID 178076823) has the molecular formula C19H17F3N2O3 and a molecular weight of 378.35 g/mol. Its IUPAC name is 2-(3-oxo-1H-isoindol-2-yl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(3-oxo-1H-isoindol-2-yl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
PubChem CID178076823
Molecular FormulaC19H17F3N2O3
Molecular Weight378.35 g/mol
Exact Mass378.12
IUPAC Name2-(3-oxo-1H-isoindol-2-yl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
SMILESO=C(CN1Cc2ccccc2C1=O)NCCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H17F3N2O3/c20-19(21,22)27-15-7-5-13(6-8-15)9-10-23-17(25)12-24-11-14-3-1-2-4-16(14)18(24)26/h1-8H,9-12H2,(H,23,25)
InChIKeyZIQKLCVNOYCLOL-UHFFFAOYSA-N
XLogP2.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1H-isoindol-2-yl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
The IUPAC name of 2-(3-oxo-1H-isoindol-2-yl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide (CID 178076823) is 2-(3-oxo-1H-isoindol-2-yl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(3-oxo-1H-isoindol-2-yl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(3-oxo-1H-isoindol-2-yl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide is O=C(CN1Cc2ccccc2C1=O)NCCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(3-oxo-1H-isoindol-2-yl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
The InChIKey is ZIQKLCVNOYCLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3/c20-19(21,22)27-15-7-5-13(6-8-15)9-10-23-17(25)12-24-11-14-3-1-2-4-16(14)18(24)26/h1-8H,9-12H2,(H,23,25).
What are the key properties of 2-(3-oxo-1H-isoindol-2-yl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
2-(3-oxo-1H-isoindol-2-yl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide has a molecular weight of 378.35 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1H-isoindol-2-yl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide is sourced from PubChem (CID 178076823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).