2-(4-chlorophenoxy)-N-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide

C16H10ClFN2O4 — CID 134087623

IUPAC2-(4-chlorophenoxy)-N-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NN1C(=O)c2cccc(F)c2C1=O
InChIInChI=1S/C16H10ClFN2O4/c17-9-4-6-10(7-5-9)24-8-13(21)19-20-15(22)11-2-1-3-12(18)14(11)16(20)23/h1-7H,8H2,(H,19,21)
InChIKeyWLTODSVGFMXYRS-UHFFFAOYSA-N
MW348.72 g/mol
LogP2.19
Rot. Bonds4

About 2-(4-chlorophenoxy)-N-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide

2-(4-chlorophenoxy)-N-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 134087623) has the molecular formula C16H10ClFN2O4 and a molecular weight of 348.72 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
PubChem CID134087623
Molecular FormulaC16H10ClFN2O4
Molecular Weight348.72 g/mol
Exact Mass348.03
IUPAC Name2-(4-chlorophenoxy)-N-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NN1C(=O)c2cccc(F)c2C1=O
InChIInChI=1S/C16H10ClFN2O4/c17-9-4-6-10(7-5-9)24-8-13(21)19-20-15(22)11-2-1-3-12(18)14(11)16(20)23/h1-7H,8H2,(H,19,21)
InChIKeyWLTODSVGFMXYRS-UHFFFAOYSA-N
XLogP2.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.72
LogP ≤ 52.19
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

2-(4-chlorophenoxy)-1-(2,6-difluorophenyl)ethanone
CID 60662333
2-(4-chlorophenoxy)-N-hydroxyacetamide
CID 11183280
2-(4-chlorophenoxy)-N-[6-[[2-(4-chlorophenoxy)acetyl]amino]-2-pyridinyl]acetamide
CID 1012475
2-(4-chlorophenoxy)-N-(2,4-dioxoimidazolidin-1-yl)acetamide
CID 4825746
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-fluorobenzamide
CID 108542091
N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide
CID 2695109
N'-(2-chloroacetyl)-2-(4-chlorophenoxy)acetohydrazide
CID 2468236
N-(6-bromo-2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)-2-(4-chlorophenoxy)acetamide
CID 18887355
N'-[2-(4-chlorophenoxy)acetyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanehydrazide
CID 2787545
2-(4-chlorophenoxy)-N-[5-(2,6-difluoroanilino)-2-pyridinyl]acetamide
CID 113037511
[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 3-fluorobenzoate
CID 8612122
N-(4-chloro-2-methylphenyl)-2-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide
CID 113201722

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide (CID 134087623) is 2-(4-chlorophenoxy)-N-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide is O=C(COc1ccc(Cl)cc1)NN1C(=O)c2cccc(F)c2C1=O.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is WLTODSVGFMXYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN2O4/c17-9-4-6-10(7-5-9)24-8-13(21)19-20-15(22)11-2-1-3-12(18)14(11)16(20)23/h1-7H,8H2,(H,19,21).
What are the key properties of 2-(4-chlorophenoxy)-N-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide?
2-(4-chlorophenoxy)-N-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 348.72 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(4-fluoro-1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 134087623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).