4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]butanamide

C23H23BrN2O3 — CID 55477930

IUPAC4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]butanamide
SMILESCc1ccc(C(NC(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)C2CC2)cc1
InChIInChI=1S/C23H23BrN2O3/c1-14-4-6-15(7-5-14)21(16-8-9-16)25-20(27)3-2-12-26-22(28)18-11-10-17(24)13-19(18)23(26)29/h4-7,10-11,13,16,21H,2-3,8-9,12H2,1H3,(H,25,27)
InChIKeyWSSPYWSTNUFDIQ-UHFFFAOYSA-N
MW455.35 g/mol
LogP4.40
Rot. Bonds7

About 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]butanamide

4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]butanamide (PubChem CID 55477930) has the molecular formula C23H23BrN2O3 and a molecular weight of 455.35 g/mol. Its IUPAC name is 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]butanamide
PubChem CID55477930
Molecular FormulaC23H23BrN2O3
Molecular Weight455.35 g/mol
Exact Mass454.09
IUPAC Name4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]butanamide
SMILESCc1ccc(C(NC(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)C2CC2)cc1
InChIInChI=1S/C23H23BrN2O3/c1-14-4-6-15(7-5-14)21(16-8-9-16)25-20(27)3-2-12-26-22(28)18-11-10-17(24)13-19(18)23(26)29/h4-7,10-11,13,16,21H,2-3,8-9,12H2,1H3,(H,25,27)
InChIKeyWSSPYWSTNUFDIQ-UHFFFAOYSA-N
XLogP4.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.35
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]butanamide 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

N-[cyclopropyl-(4-methylphenyl)methyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
CID 55478012
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2,4-dimethylphenyl)butanamide
CID 30426290
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-cyclooctylbutanamide
CID 36597584
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-methoxybutanamide
CID 33101260
ethyl 4-[4-(5-bromo-1,3-dioxoisoindol-2-yl)butanoylamino]piperidine-1-carboxylate
CID 46532388
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2,6-dimethylphenyl)butanamide
CID 30433870
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]butanamide
CID 46828593
5-bromo-2-[2-(1-cyclopropylethylamino)ethyl]isoindole-1,3-dione
CID 106674883
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(4-chloro-2-methylphenyl)butanamide
CID 30427994
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]butanamide
CID 55722387
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[3-(methylamino)propyl]butanamide
CID 119434052
N-(3-amino-2-methylpropyl)-4-(5-bromo-1,3-dioxoisoindol-2-yl)butanamide
CID 119998242

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]butanamide?
The IUPAC name of 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]butanamide (CID 55477930) is 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]butanamide.
What is the SMILES notation for 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]butanamide?
The canonical SMILES for 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]butanamide is Cc1ccc(C(NC(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)C2CC2)cc1.
What is the InChIKey of 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]butanamide?
The InChIKey is WSSPYWSTNUFDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN2O3/c1-14-4-6-15(7-5-14)21(16-8-9-16)25-20(27)3-2-12-26-22(28)18-11-10-17(24)13-19(18)23(26)29/h4-7,10-11,13,16,21H,2-3,8-9,12H2,1H3,(H,25,27).
What are the key properties of 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]butanamide?
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]butanamide has a molecular weight of 455.35 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]butanamide is sourced from PubChem (CID 55477930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).