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

C17H14N2O3 — CID 830808

IUPACN-[2-(3-methylphenyl)-1,3-dioxoisoindol-4-yl]acetamide
SMILESCC(=O)Nc1cccc2c1C(=O)N(c1cccc(C)c1)C2=O
InChIInChI=1S/C17H14N2O3/c1-10-5-3-6-12(9-10)19-16(21)13-7-4-8-14(18-11(2)20)15(13)17(19)22/h3-9H,1-2H3,(H,18,20)
InChIKeyXJFPNHTWLFOPGI-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.75
Rot. Bonds2

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

N-[2-(3-methylphenyl)-1,3-dioxoisoindol-4-yl]acetamide (PubChem CID 830808) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)-1,3-dioxoisoindol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)-1,3-dioxoisoindol-4-yl]acetamide
PubChem CID830808
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC NameN-[2-(3-methylphenyl)-1,3-dioxoisoindol-4-yl]acetamide
SMILESCC(=O)Nc1cccc2c1C(=O)N(c1cccc(C)c1)C2=O
InChIInChI=1S/C17H14N2O3/c1-10-5-3-6-12(9-10)19-16(21)13-7-4-8-14(18-11(2)20)15(13)17(19)22/h3-9H,1-2H3,(H,18,20)
InChIKeyXJFPNHTWLFOPGI-UHFFFAOYSA-N
XLogP2.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)-1,3-dioxoisoindol-4-yl]acetamide?
The IUPAC name of N-[2-(3-methylphenyl)-1,3-dioxoisoindol-4-yl]acetamide (CID 830808) is N-[2-(3-methylphenyl)-1,3-dioxoisoindol-4-yl]acetamide.
What is the SMILES notation for N-[2-(3-methylphenyl)-1,3-dioxoisoindol-4-yl]acetamide?
The canonical SMILES for N-[2-(3-methylphenyl)-1,3-dioxoisoindol-4-yl]acetamide is CC(=O)Nc1cccc2c1C(=O)N(c1cccc(C)c1)C2=O.
What is the InChIKey of N-[2-(3-methylphenyl)-1,3-dioxoisoindol-4-yl]acetamide?
The InChIKey is XJFPNHTWLFOPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-10-5-3-6-12(9-10)19-16(21)13-7-4-8-14(18-11(2)20)15(13)17(19)22/h3-9H,1-2H3,(H,18,20).
What are the key properties of N-[2-(3-methylphenyl)-1,3-dioxoisoindol-4-yl]acetamide?
N-[2-(3-methylphenyl)-1,3-dioxoisoindol-4-yl]acetamide has a molecular weight of 294.31 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)-1,3-dioxoisoindol-4-yl]acetamide is sourced from PubChem (CID 830808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).