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

C16H16Cl2N2O3 — CID 2654480

IUPACN-cyclohexyl-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)NC1CCCCC1
InChIInChI=1S/C16H16Cl2N2O3/c17-12-6-10-11(7-13(12)18)16(23)20(15(10)22)8-14(21)19-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,19,21)
InChIKeyVKDMTJIXKUTLJU-UHFFFAOYSA-N
MW355.22 g/mol
LogP3.04
Rot. Bonds3

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

N-cyclohexyl-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 2654480) has the molecular formula C16H16Cl2N2O3 and a molecular weight of 355.22 g/mol. Its IUPAC name is N-cyclohexyl-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
PubChem CID2654480
Molecular FormulaC16H16Cl2N2O3
Molecular Weight355.22 g/mol
Exact Mass354.05
IUPAC NameN-cyclohexyl-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)NC1CCCCC1
InChIInChI=1S/C16H16Cl2N2O3/c17-12-6-10-11(7-13(12)18)16(23)20(15(10)22)8-14(21)19-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,19,21)
InChIKeyVKDMTJIXKUTLJU-UHFFFAOYSA-N
XLogP3.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide (CID 2654480) is N-cyclohexyl-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide is O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is VKDMTJIXKUTLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3/c17-12-6-10-11(7-13(12)18)16(23)20(15(10)22)8-14(21)19-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,19,21).
What are the key properties of N-cyclohexyl-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide?
N-cyclohexyl-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 355.22 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 2654480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).