N-(1,3-dioxoisoindol-5-yl)-4-ethoxybenzamide

C17H14N2O4 — CID 3647978

IUPACN-(1,3-dioxoisoindol-5-yl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1
InChIInChI=1S/C17H14N2O4/c1-2-23-12-6-3-10(4-7-12)15(20)18-11-5-8-13-14(9-11)17(22)19-16(13)21/h3-9H,2H2,1H3,(H,18,20)(H,19,21,22)
InChIKeyZPAZPCGPDIOKFD-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.22
Rot. Bonds4

About N-(1,3-dioxoisoindol-5-yl)-4-ethoxybenzamide

N-(1,3-dioxoisoindol-5-yl)-4-ethoxybenzamide (PubChem CID 3647978) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-5-yl)-4-ethoxybenzamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-5-yl)-4-ethoxybenzamide
PubChem CID3647978
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC NameN-(1,3-dioxoisoindol-5-yl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1
InChIInChI=1S/C17H14N2O4/c1-2-23-12-6-3-10(4-7-12)15(20)18-11-5-8-13-14(9-11)17(22)19-16(13)21/h3-9H,2H2,1H3,(H,18,20)(H,19,21,22)
InChIKeyZPAZPCGPDIOKFD-UHFFFAOYSA-N
XLogP2.22
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.22
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

4-Methoxy-N-(3-methylphenyl)benzamide
CID 346046
Amphotalide
CID 71806
N-(4-Ethoxyphenyl)-4-methoxybenzamide
CID 584690
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
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-methoxyisoindole-1,3-dione
CID 25270868

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-5-yl)-4-ethoxybenzamide?
The IUPAC name of N-(1,3-dioxoisoindol-5-yl)-4-ethoxybenzamide (CID 3647978) is N-(1,3-dioxoisoindol-5-yl)-4-ethoxybenzamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-5-yl)-4-ethoxybenzamide?
The canonical SMILES for N-(1,3-dioxoisoindol-5-yl)-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1.
What is the InChIKey of N-(1,3-dioxoisoindol-5-yl)-4-ethoxybenzamide?
The InChIKey is ZPAZPCGPDIOKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-2-23-12-6-3-10(4-7-12)15(20)18-11-5-8-13-14(9-11)17(22)19-16(13)21/h3-9H,2H2,1H3,(H,18,20)(H,19,21,22).
What are the key properties of N-(1,3-dioxoisoindol-5-yl)-4-ethoxybenzamide?
N-(1,3-dioxoisoindol-5-yl)-4-ethoxybenzamide has a molecular weight of 310.31 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-5-yl)-4-ethoxybenzamide is sourced from PubChem (CID 3647978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).