N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-fluoro-N-(2-methoxyphenyl)benzamide

C24H19FN2O4 — CID 4682355

IUPACN-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-fluoro-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1N(CCN1C(=O)c2ccccc2C1=O)C(=O)c1ccc(F)cc1
InChIInChI=1S/C24H19FN2O4/c1-31-21-9-5-4-8-20(21)26(22(28)16-10-12-17(25)13-11-16)14-15-27-23(29)18-6-2-3-7-19(18)24(27)30/h2-13H,14-15H2,1H3
InChIKeyTZZDKYLITZIARA-UHFFFAOYSA-N
MW418.42 g/mol
LogP3.78
Rot. Bonds6

About N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-fluoro-N-(2-methoxyphenyl)benzamide

N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-fluoro-N-(2-methoxyphenyl)benzamide (PubChem CID 4682355) has the molecular formula C24H19FN2O4 and a molecular weight of 418.42 g/mol. Its IUPAC name is N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-fluoro-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound NameN-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-fluoro-N-(2-methoxyphenyl)benzamide
PubChem CID4682355
Molecular FormulaC24H19FN2O4
Molecular Weight418.42 g/mol
Exact Mass418.13
IUPAC NameN-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-fluoro-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1N(CCN1C(=O)c2ccccc2C1=O)C(=O)c1ccc(F)cc1
InChIInChI=1S/C24H19FN2O4/c1-31-21-9-5-4-8-20(21)26(22(28)16-10-12-17(25)13-11-16)14-15-27-23(29)18-6-2-3-7-19(18)24(27)30/h2-13H,14-15H2,1H3
InChIKeyTZZDKYLITZIARA-UHFFFAOYSA-N
XLogP3.78
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-fluoro-N-(2-methoxyphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[2-(6-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-N-(2-methoxyphenyl)benzamide
CID 4015913
N-[(1,3-dioxoisoindol-2-yl)methyl]-3,5-dimethoxy-N-(2-methoxyphenyl)benzamide
CID 2332485
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(2-ethoxyphenyl)-3,5-dinitrobenzamide
CID 3377075
N-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-4-fluoro-N-(2-methylphenyl)benzamide
CID 4222452
N-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]-4-methyl-N-(2-methylphenyl)benzamide
CID 4036482
N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-methoxy-N-(4-methylphenyl)benzamide
CID 4013315
N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(2-methoxyphenyl)-4-(methylaminomethyl)benzamide
CID 19689967
4-bromo-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-phenylbenzamide
CID 4528912
2-[4,4-bis(4-fluorophenyl)but-3-enyl]isoindole-1,3-dione
CID 110168474
N-(2,4-difluorophenyl)-4-(dimethylsulfamoyl)-N-[4-(1,3-dioxoisoindol-2-yl)butyl]benzamide
CID 2247556
N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methoxyphenyl)decanamide
CID 3419437
4-[(dimethylamino)methyl]-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(2-methoxyphenyl)benzamide;oxalic acid
CID 19690033

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-fluoro-N-(2-methoxyphenyl)benzamide?
The IUPAC name of N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-fluoro-N-(2-methoxyphenyl)benzamide (CID 4682355) is N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-fluoro-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-fluoro-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-fluoro-N-(2-methoxyphenyl)benzamide is COc1ccccc1N(CCN1C(=O)c2ccccc2C1=O)C(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-fluoro-N-(2-methoxyphenyl)benzamide?
The InChIKey is TZZDKYLITZIARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O4/c1-31-21-9-5-4-8-20(21)26(22(28)16-10-12-17(25)13-11-16)14-15-27-23(29)18-6-2-3-7-19(18)24(27)30/h2-13H,14-15H2,1H3.
What are the key properties of N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-fluoro-N-(2-methoxyphenyl)benzamide?
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-fluoro-N-(2-methoxyphenyl)benzamide has a molecular weight of 418.42 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-fluoro-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 4682355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).