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

C16H15Cl2N3O4 — CID 2708398

IUPACN-(cyclopentylcarbamoyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)NC(=O)NC1CCCC1
InChIInChI=1S/C16H15Cl2N3O4/c17-11-5-9-10(6-12(11)18)15(24)21(14(9)23)7-13(22)20-16(25)19-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H2,19,20,22,25)
InChIKeyQZFASIGLQWPMSS-UHFFFAOYSA-N
MW384.22 g/mol
LogP2.36
Rot. Bonds3

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

N-(cyclopentylcarbamoyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 2708398) has the molecular formula C16H15Cl2N3O4 and a molecular weight of 384.22 g/mol. Its IUPAC name is N-(cyclopentylcarbamoyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(cyclopentylcarbamoyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
PubChem CID2708398
Molecular FormulaC16H15Cl2N3O4
Molecular Weight384.22 g/mol
Exact Mass383.04
IUPAC NameN-(cyclopentylcarbamoyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)NC(=O)NC1CCCC1
InChIInChI=1S/C16H15Cl2N3O4/c17-11-5-9-10(6-12(11)18)15(24)21(14(9)23)7-13(22)20-16(25)19-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H2,19,20,22,25)
InChIKeyQZFASIGLQWPMSS-UHFFFAOYSA-N
XLogP2.36
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.22
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(cyclooctylamino)-2-oxoethyl] 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetate
CID 35776839
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(cyclopentylcarbamoyl)acetamide
CID 2708167
N-cyclohexyl-3-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanamide
CID 9172413
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(propan-2-ylcarbamoyl)acetamide
CID 2649006
N-(cyclopentylmethyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
CID 39211611
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-cyclohexylacetamide
CID 113201443
N-(cyclopentylcarbamoyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7652362
N-(cyclohexylcarbamoyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626428
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(cyclopropylcarbamoyl)acetamide
CID 7951962
N-cyclopropyl-3-[[2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide
CID 26993725
N-(cyclopentylcarbamoyl)-2-(3,4-dichloroanilino)acetamide
CID 18096476
2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyclohexylcarbamoyl)acetamide
CID 4813035

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylcarbamoyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-(cyclopentylcarbamoyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide (CID 2708398) is N-(cyclopentylcarbamoyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-(cyclopentylcarbamoyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-(cyclopentylcarbamoyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide is O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)NC(=O)NC1CCCC1.
What is the InChIKey of N-(cyclopentylcarbamoyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is QZFASIGLQWPMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O4/c17-11-5-9-10(6-12(11)18)15(24)21(14(9)23)7-13(22)20-16(25)19-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H2,19,20,22,25).
What are the key properties of N-(cyclopentylcarbamoyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide?
N-(cyclopentylcarbamoyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 384.22 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylcarbamoyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 2708398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).