N-(cyclopentylmethyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide

C16H16Cl2N2O3 — CID 39211611

IUPACN-(cyclopentylmethyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)NCC1CCCC1
InChIInChI=1S/C16H16Cl2N2O3/c17-12-5-10-11(6-13(12)18)16(23)20(15(10)22)8-14(21)19-7-9-3-1-2-4-9/h5-6,9H,1-4,7-8H2,(H,19,21)
InChIKeyGSKSSVJZYJTYSP-UHFFFAOYSA-N
MW355.22 g/mol
LogP2.90
Rot. Bonds4

About N-(cyclopentylmethyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide

N-(cyclopentylmethyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 39211611) has the molecular formula C16H16Cl2N2O3 and a molecular weight of 355.22 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
PubChem CID39211611
Molecular FormulaC16H16Cl2N2O3
Molecular Weight355.22 g/mol
Exact Mass354.05
IUPAC NameN-(cyclopentylmethyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)NCC1CCCC1
InChIInChI=1S/C16H16Cl2N2O3/c17-12-5-10-11(6-13(12)18)16(23)20(15(10)22)8-14(21)19-7-9-3-1-2-4-9/h5-6,9H,1-4,7-8H2,(H,19,21)
InChIKeyGSKSSVJZYJTYSP-UHFFFAOYSA-N
XLogP2.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 52.90
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

N-(cyclohexylmethyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide
CID 42989877
[2-(cyclooctylamino)-2-oxoethyl] 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetate
CID 35776839
N-(cyclohexylmethyl)-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 2518119
N-(cyclooctylmethyl)-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 98284387
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(propan-2-ylcarbamoyl)acetamide
CID 2649006
5,6-dichloro-2-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 2654484
2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyclohexylmethyl)acetamide
CID 2577259
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-cyclohexylacetamide
CID 113201443
2-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5,6-dichloroisoindole-1,3-dione
CID 66795078
methyl 2-[[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]methyl]cyclohexane-1-carboxylate
CID 108767526
2-(7-bromo-2,3-dioxoindol-1-yl)-N-(cyclopropylmethyl)acetamide
CID 61356503
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 9304258

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-(cyclopentylmethyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide (CID 39211611) is N-(cyclopentylmethyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-(cyclopentylmethyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-(cyclopentylmethyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide is O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)NCC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is GSKSSVJZYJTYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3/c17-12-5-10-11(6-13(12)18)16(23)20(15(10)22)8-14(21)19-7-9-3-1-2-4-9/h5-6,9H,1-4,7-8H2,(H,19,21).
What are the key properties of N-(cyclopentylmethyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide?
N-(cyclopentylmethyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 355.22 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 39211611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).