2-bromo-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-ethoxyphenyl)benzamide

C24H19BrN2O4 — CID 2326703

IUPAC2-bromo-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2ccccc2Br)cc1
InChIInChI=1S/C24H19BrN2O4/c1-2-31-17-13-11-16(12-14-17)26(24(30)20-9-5-6-10-21(20)25)15-27-22(28)18-7-3-4-8-19(18)23(27)29/h3-14H,2,15H2,1H3
InChIKeyMGAHNJBEKRVEIB-UHFFFAOYSA-N
MW479.33 g/mol
LogP4.75
Rot. Bonds6

About 2-bromo-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-ethoxyphenyl)benzamide

2-bromo-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-ethoxyphenyl)benzamide (PubChem CID 2326703) has the molecular formula C24H19BrN2O4 and a molecular weight of 479.33 g/mol. Its IUPAC name is 2-bromo-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-ethoxyphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-ethoxyphenyl)benzamide
PubChem CID2326703
Molecular FormulaC24H19BrN2O4
Molecular Weight479.33 g/mol
Exact Mass478.05
IUPAC Name2-bromo-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-ethoxyphenyl)benzamide
SMILESCCOc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2ccccc2Br)cc1
InChIInChI=1S/C24H19BrN2O4/c1-2-31-17-13-11-16(12-14-17)26(24(30)20-9-5-6-10-21(20)25)15-27-22(28)18-7-3-4-8-19(18)23(27)29/h3-14H,2,15H2,1H3
InChIKeyMGAHNJBEKRVEIB-UHFFFAOYSA-N
XLogP4.75
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.33
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-bromo-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-ethoxyphenyl)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

Etomidoline
CID 3309
2-(4-ethoxyphenyl)-1H-isoindole-1,3(2H)-dione
CID 709445
2-[(4-Methoxyanilino)methyl]isoindole-1,3-dione
CID 348063
N-(Para-phenetidinomethyl)-phthalimide
CID 348062
2-(3-(4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy)propyl)isoindoline-1,3-dione hydrochloride (A2-02)
CID 129010568
2-(4-(4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy)butyl)isoindoline-1,3-dione (A2-03)
CID 129010569
N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-fluorophenyl)-2-phenoxyacetamide
CID 1116108
ethyl 4-{1-[(4-ethoxyphenyl)amino]-3-oxo-2,3-dihydro-1H-isoindol-2-yl}piperidine-1-carboxylate
CID 45489085
N-(4-(beta-N'-morpholinoethoxy)phenyl)phthalimide
CID 54420
5-bromo-2-[4-(2,3-dimethylphenoxy)phenyl]-1H-isoindole-1,3(2H)-dione
CID 983592
N-[(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-N-(2-methoxyphenyl)acetamide
CID 1039641
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-(4-ethoxy-phenyl)-propionamide
CID 2133030

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-ethoxyphenyl)benzamide?
The IUPAC name of 2-bromo-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-ethoxyphenyl)benzamide (CID 2326703) is 2-bromo-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-ethoxyphenyl)benzamide.
What is the SMILES notation for 2-bromo-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-ethoxyphenyl)benzamide?
The canonical SMILES for 2-bromo-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-ethoxyphenyl)benzamide is CCOc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2ccccc2Br)cc1.
What is the InChIKey of 2-bromo-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-ethoxyphenyl)benzamide?
The InChIKey is MGAHNJBEKRVEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrN2O4/c1-2-31-17-13-11-16(12-14-17)26(24(30)20-9-5-6-10-21(20)25)15-27-22(28)18-7-3-4-8-19(18)23(27)29/h3-14H,2,15H2,1H3.
What are the key properties of 2-bromo-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-ethoxyphenyl)benzamide?
2-bromo-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-ethoxyphenyl)benzamide has a molecular weight of 479.33 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-ethoxyphenyl)benzamide is sourced from PubChem (CID 2326703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).