N-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]acetamide

C16H12N2O4 — CID 893435

IUPACN-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]acetamide
SMILESCC(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)NC3=O)c1
InChIInChI=1S/C16H12N2O4/c1-9(19)17-10-3-2-4-11(7-10)22-12-5-6-13-14(8-12)16(21)18-15(13)20/h2-8H,1H3,(H,17,19)(H,18,20,21)
InChIKeyJCKPFNDDPSYQKL-UHFFFAOYSA-N
MW296.28 g/mol
LogP2.32
Rot. Bonds3

About N-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]acetamide

N-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]acetamide (PubChem CID 893435) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is N-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]acetamide
PubChem CID893435
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC NameN-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]acetamide
SMILESCC(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)NC3=O)c1
InChIInChI=1S/C16H12N2O4/c1-9(19)17-10-3-2-4-11(7-10)22-12-5-6-13-14(8-12)16(21)18-15(13)20/h2-8H,1H3,(H,17,19)(H,18,20,21)
InChIKeyJCKPFNDDPSYQKL-UHFFFAOYSA-N
XLogP2.32
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Mepronil
CID 41632
2-[4-(dimethylamino)phenyl]-5-(2-fluoroethoxy)-3H-isoindol-1-one
CID 25242570
5-(2-Fluoroethoxy)-2-[4-(methylamino)phenyl]isoindole-1,3-dione
CID 25266309
2-[4-(Dimethylamino)phenyl]-5-(2-fluoroethoxy)isoindole-1,3-dione
CID 25266310
2-(4-Aminophenyl)-5-(3-fluoropropoxy)isoindole-1,3-dione
CID 25266311
5-(3-Fluoropropoxy)-2-[4-(methylamino)phenyl]isoindole-1,3-dione
CID 25266312
2-[4-(dimethylamino)phenyl]-5-methoxy-3H-isoindol-1-one
CID 25266314
5-(2-fluoroethoxy)-2-[4-(methylamino)phenyl]-3H-isoindol-1-one
CID 25266341
2-(4-aminophenyl)-5-(2-fluoroethoxy)-3H-isoindol-1-one
CID 25267381
2-(4-aminophenyl)-5-(3-fluoropropoxy)-3H-isoindol-1-one
CID 25267382
5-(3-fluoropropoxy)-2-[4-(methylamino)phenyl]-3H-isoindol-1-one
CID 25267383
2-[4-(dimethylamino)phenyl]-5-(3-fluoropropoxy)-3H-isoindol-1-one
CID 25267384

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]acetamide?
The IUPAC name of N-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]acetamide (CID 893435) is N-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]acetamide.
What is the SMILES notation for N-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]acetamide?
The canonical SMILES for N-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]acetamide is CC(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)NC3=O)c1.
What is the InChIKey of N-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]acetamide?
The InChIKey is JCKPFNDDPSYQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c1-9(19)17-10-3-2-4-11(7-10)22-12-5-6-13-14(8-12)16(21)18-15(13)20/h2-8H,1H3,(H,17,19)(H,18,20,21).
What are the key properties of N-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]acetamide?
N-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]acetamide has a molecular weight of 296.28 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxoisoindol-5-yl)oxyphenyl]acetamide is sourced from PubChem (CID 893435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).