2-(1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide

C17H11F3N2O4 — CID 2711309

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H11F3N2O4/c18-17(19,20)26-11-7-5-10(6-8-11)21-14(23)9-22-15(24)12-3-1-2-4-13(12)16(22)25/h1-8H,9H2,(H,21,23)
InChIKeyNPSFAHKTEXTMCE-UHFFFAOYSA-N
MW364.28 g/mol
LogP2.82
Rot. Bonds4

About 2-(1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide

2-(1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 2711309) has the molecular formula C17H11F3N2O4 and a molecular weight of 364.28 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID2711309
Molecular FormulaC17H11F3N2O4
Molecular Weight364.28 g/mol
Exact Mass364.07
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H11F3N2O4/c18-17(19,20)26-11-7-5-10(6-8-11)21-14(23)9-22-15(24)12-3-1-2-4-13(12)16(22)25/h1-8H,9H2,(H,21,23)
InChIKeyNPSFAHKTEXTMCE-UHFFFAOYSA-N
XLogP2.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(4-tert-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7658806
N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 719174
2-(3-oxo-1,4-benzothiazin-4-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 51195005
2-(1,3-dioxoisoindol-2-yl)-N-[4-(ethylamino)phenyl]acetamide
CID 23824241
N-[4-(difluoromethoxy)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 16592169
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 29166416
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2711300
2-[(2S,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2148334
2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2459874
N-(3,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2989674
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 3666642
2-[(3R)-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 98210814

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 2711309) is 2-(1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide is O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is NPSFAHKTEXTMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O4/c18-17(19,20)26-11-7-5-10(6-8-11)21-14(23)9-22-15(24)12-3-1-2-4-13(12)16(22)25/h1-8H,9H2,(H,21,23).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 364.28 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 2711309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).