2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-cyclohexylacetamide

C16H17ClN2O3 — CID 113201443

IUPAC2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-cyclohexylacetamide
SMILESO=C(CN1C(=O)c2ccc(Cl)cc2C1=O)NC1CCCCC1
InChIInChI=1S/C16H17ClN2O3/c17-10-6-7-12-13(8-10)16(22)19(15(12)21)9-14(20)18-11-4-2-1-3-5-11/h6-8,11H,1-5,9H2,(H,18,20)
InChIKeyWIHCWHLCHHZTFU-UHFFFAOYSA-N
MW320.78 g/mol
LogP2.38
Rot. Bonds3

About 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-cyclohexylacetamide

2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-cyclohexylacetamide (PubChem CID 113201443) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-cyclohexylacetamide
PubChem CID113201443
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Name2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-cyclohexylacetamide
SMILESO=C(CN1C(=O)c2ccc(Cl)cc2C1=O)NC1CCCCC1
InChIInChI=1S/C16H17ClN2O3/c17-10-6-7-12-13(8-10)16(22)19(15(12)21)9-14(20)18-11-4-2-1-3-5-11/h6-8,11H,1-5,9H2,(H,18,20)
InChIKeyWIHCWHLCHHZTFU-UHFFFAOYSA-N
XLogP2.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[[2-(5-chloro-1,3-dioxoisoindol-2-yl)acetyl]amino]piperidine-1-carboxylate
CID 113201492
N-(cyclopentylcarbamoyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
CID 2708398
[2-(cyclooctylamino)-2-oxoethyl] 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetate
CID 35776839
2-(2-chloro-6,12-dioxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5-yl)-N-cyclopropylacetamide
CID 50829723
N-cyclohexyl-3-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide
CID 9172413
N-cyclopentyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 18136582
1-[2-(5-chloro-1,3-dioxoisoindol-2-yl)ethyl]-3-cyclopropylurea
CID 113082293
N-tert-butyl-2-(5-chloro-1,3-dioxoisoindol-2-yl)acetamide
CID 113201500
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113201573
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopentylacetamide
CID 23410828
5-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoindole-1,3-dione
CID 113201440
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 113201438

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-cyclohexylacetamide?
The IUPAC name of 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-cyclohexylacetamide (CID 113201443) is 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-cyclohexylacetamide.
What is the SMILES notation for 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-cyclohexylacetamide?
The canonical SMILES for 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-cyclohexylacetamide is O=C(CN1C(=O)c2ccc(Cl)cc2C1=O)NC1CCCCC1.
What is the InChIKey of 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-cyclohexylacetamide?
The InChIKey is WIHCWHLCHHZTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c17-10-6-7-12-13(8-10)16(22)19(15(12)21)9-14(20)18-11-4-2-1-3-5-11/h6-8,11H,1-5,9H2,(H,18,20).
What are the key properties of 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-cyclohexylacetamide?
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-cyclohexylacetamide has a molecular weight of 320.78 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-cyclohexylacetamide is sourced from PubChem (CID 113201443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).