N-chloro-N-(5,6-dichloro-1,3-dioxobenzo[e]isoindol-4-yl)acetamide

C14H7Cl3N2O3 — CID 19855687

IUPACN-chloro-N-(5,6-dichloro-1,3-dioxobenzo[e]isoindol-4-yl)acetamide
SMILESCC(=O)N(Cl)c1c2c(c3cccc(Cl)c3c1Cl)C(=O)NC2=O
InChIInChI=1S/C14H7Cl3N2O3/c1-5(20)19(17)12-10-9(13(21)18-14(10)22)6-3-2-4-7(15)8(6)11(12)16/h2-4H,1H3,(H,18,21,22)
InChIKeyWEMSLSFKGPRYNA-UHFFFAOYSA-N
MW357.58 g/mol
LogP3.54
Rot. Bonds1

About N-chloro-N-(5,6-dichloro-1,3-dioxobenzo[e]isoindol-4-yl)acetamide

N-chloro-N-(5,6-dichloro-1,3-dioxobenzo[e]isoindol-4-yl)acetamide (PubChem CID 19855687) has the molecular formula C14H7Cl3N2O3 and a molecular weight of 357.58 g/mol. Its IUPAC name is N-chloro-N-(5,6-dichloro-1,3-dioxobenzo[e]isoindol-4-yl)acetamide.

Molecular Properties

Compound NameN-chloro-N-(5,6-dichloro-1,3-dioxobenzo[e]isoindol-4-yl)acetamide
PubChem CID19855687
Molecular FormulaC14H7Cl3N2O3
Molecular Weight357.58 g/mol
Exact Mass355.95
IUPAC NameN-chloro-N-(5,6-dichloro-1,3-dioxobenzo[e]isoindol-4-yl)acetamide
SMILESCC(=O)N(Cl)c1c2c(c3cccc(Cl)c3c1Cl)C(=O)NC2=O
InChIInChI=1S/C14H7Cl3N2O3/c1-5(20)19(17)12-10-9(13(21)18-14(10)22)6-3-2-4-7(15)8(6)11(12)16/h2-4H,1H3,(H,18,21,22)
InChIKeyWEMSLSFKGPRYNA-UHFFFAOYSA-N
XLogP3.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.58
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-chloro-N-(5,6-dichloro-1,3-dioxobenzo[e]isoindol-4-yl)acetamide?
The IUPAC name of N-chloro-N-(5,6-dichloro-1,3-dioxobenzo[e]isoindol-4-yl)acetamide (CID 19855687) is N-chloro-N-(5,6-dichloro-1,3-dioxobenzo[e]isoindol-4-yl)acetamide.
What is the SMILES notation for N-chloro-N-(5,6-dichloro-1,3-dioxobenzo[e]isoindol-4-yl)acetamide?
The canonical SMILES for N-chloro-N-(5,6-dichloro-1,3-dioxobenzo[e]isoindol-4-yl)acetamide is CC(=O)N(Cl)c1c2c(c3cccc(Cl)c3c1Cl)C(=O)NC2=O.
What is the InChIKey of N-chloro-N-(5,6-dichloro-1,3-dioxobenzo[e]isoindol-4-yl)acetamide?
The InChIKey is WEMSLSFKGPRYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl3N2O3/c1-5(20)19(17)12-10-9(13(21)18-14(10)22)6-3-2-4-7(15)8(6)11(12)16/h2-4H,1H3,(H,18,21,22).
What are the key properties of N-chloro-N-(5,6-dichloro-1,3-dioxobenzo[e]isoindol-4-yl)acetamide?
N-chloro-N-(5,6-dichloro-1,3-dioxobenzo[e]isoindol-4-yl)acetamide has a molecular weight of 357.58 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N-(5,6-dichloro-1,3-dioxobenzo[e]isoindol-4-yl)acetamide is sourced from PubChem (CID 19855687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).