N-cyclohexyl-3-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide

C17H18Cl2N2O3 — CID 9172413

IUPACN-cyclohexyl-3-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide
SMILESO=C(CCN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)NC1CCCCC1
InChIInChI=1S/C17H18Cl2N2O3/c18-13-8-11-12(9-14(13)19)17(24)21(16(11)23)7-6-15(22)20-10-4-2-1-3-5-10/h8-10H,1-7H2,(H,20,22)
InChIKeyWNIKOOLCKTZKHO-UHFFFAOYSA-N
MW369.25 g/mol
LogP3.43
Rot. Bonds4

About N-cyclohexyl-3-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide

N-cyclohexyl-3-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 9172413) has the molecular formula C17H18Cl2N2O3 and a molecular weight of 369.25 g/mol. Its IUPAC name is N-cyclohexyl-3-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide
PubChem CID9172413
Molecular FormulaC17H18Cl2N2O3
Molecular Weight369.25 g/mol
Exact Mass368.07
IUPAC NameN-cyclohexyl-3-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide
SMILESO=C(CCN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)NC1CCCCC1
InChIInChI=1S/C17H18Cl2N2O3/c18-13-8-11-12(9-14(13)19)17(24)21(16(11)23)7-6-15(22)20-10-4-2-1-3-5-10/h8-10H,1-7H2,(H,20,22)
InChIKeyWNIKOOLCKTZKHO-UHFFFAOYSA-N
XLogP3.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-cyclohexyl-3-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide 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

[2-(cyclooctylamino)-2-oxoethyl] 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetate
CID 35776839
N-(cyclopentylcarbamoyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
CID 2708398
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-cyclooctylbutanamide
CID 36597584
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-cyclohexylacetamide
CID 113201443
N-cyclopentyl-3-(4-fluoro-1,3-dioxoisoindol-2-yl)propanamide
CID 113202679
2-chloro-N-cyclohexyl-5-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoylamino]benzamide
CID 55906524
(2S)-N-cyclohexyl-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide
CID 7610446
N-cycloheptyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 17409825
N-cyclopentyl-3-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide
CID 110839559
N-(cyclopentylmethyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
CID 39211611
N-cyclopropyl-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 112731299
3-(4-chloro-3-methylpyrazol-1-yl)-N-cyclohexylpropanamide
CID 19544037

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-cyclohexyl-3-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide (CID 9172413) is N-cyclohexyl-3-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-cyclohexyl-3-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-cyclohexyl-3-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide is O=C(CCN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is WNIKOOLCKTZKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3/c18-13-8-11-12(9-14(13)19)17(24)21(16(11)23)7-6-15(22)20-10-4-2-1-3-5-10/h8-10H,1-7H2,(H,20,22).
What are the key properties of N-cyclohexyl-3-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide?
N-cyclohexyl-3-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 369.25 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 9172413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).