4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-cyclooctylbutanamide

C20H25BrN2O3 — CID 36597584

IUPAC4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-cyclooctylbutanamide
SMILESO=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)NC1CCCCCCC1
InChIInChI=1S/C20H25BrN2O3/c21-14-10-11-16-17(13-14)20(26)23(19(16)25)12-6-9-18(24)22-15-7-4-2-1-3-5-8-15/h10-11,13,15H,1-9,12H2,(H,22,24)
InChIKeyKYSOHCKKWLWRGY-UHFFFAOYSA-N
MW421.34 g/mol
LogP4.05
Rot. Bonds5

About 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-cyclooctylbutanamide

4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-cyclooctylbutanamide (PubChem CID 36597584) has the molecular formula C20H25BrN2O3 and a molecular weight of 421.34 g/mol. Its IUPAC name is 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-cyclooctylbutanamide.

Molecular Properties

Compound Name4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-cyclooctylbutanamide
PubChem CID36597584
Molecular FormulaC20H25BrN2O3
Molecular Weight421.34 g/mol
Exact Mass420.10
IUPAC Name4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-cyclooctylbutanamide
SMILESO=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)NC1CCCCCCC1
InChIInChI=1S/C20H25BrN2O3/c21-14-10-11-16-17(13-14)20(26)23(19(16)25)12-6-9-18(24)22-15-7-4-2-1-3-5-8-15/h10-11,13,15H,1-9,12H2,(H,22,24)
InChIKeyKYSOHCKKWLWRGY-UHFFFAOYSA-N
XLogP4.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.34
LogP ≤ 54.05
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-cyclooctylbutanamide 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-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]butanamide
CID 46540341
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-piperidin-1-ylethyl)butanamide
CID 55723940
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-methoxybutanamide
CID 33101260
N-cyclohexyl-3-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide
CID 9172413
5-bromo-2-[4-(2-methylpiperidin-1-yl)-4-oxobutyl]isoindole-1,3-dione
CID 51192237
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]butanamide
CID 55477930
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N'-phenylbutanehydrazide
CID 78803344
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[3-(methylamino)propyl]butanamide
CID 119434052
N-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide
CID 17034995
4-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-cyclododecylbutanamide
CID 8835252
N-cycloheptyl-4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)butanamide
CID 6462146

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-cyclooctylbutanamide?
The IUPAC name of 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-cyclooctylbutanamide (CID 36597584) is 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-cyclooctylbutanamide.
What is the SMILES notation for 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-cyclooctylbutanamide?
The canonical SMILES for 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-cyclooctylbutanamide is O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)NC1CCCCCCC1.
What is the InChIKey of 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-cyclooctylbutanamide?
The InChIKey is KYSOHCKKWLWRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O3/c21-14-10-11-16-17(13-14)20(26)23(19(16)25)12-6-9-18(24)22-15-7-4-2-1-3-5-8-15/h10-11,13,15H,1-9,12H2,(H,22,24).
What are the key properties of 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-cyclooctylbutanamide?
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-cyclooctylbutanamide has a molecular weight of 421.34 g/mol, XLogP of 4.05, 5 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-cyclooctylbutanamide is sourced from PubChem (CID 36597584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).