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

C14H9ClN2O3 — CID 19855693

IUPACN-chloro-N-(1,3-dioxobenzo[e]isoindol-4-yl)acetamide
SMILESCC(=O)N(Cl)c1cc2ccccc2c2c1C(=O)NC2=O
InChIInChI=1S/C14H9ClN2O3/c1-7(18)17(15)10-6-8-4-2-3-5-9(8)11-12(10)14(20)16-13(11)19/h2-6H,1H3,(H,16,19,20)
InChIKeyHBDRCDVHSTZTID-UHFFFAOYSA-N
MW288.69 g/mol
LogP2.23
Rot. Bonds1

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

N-chloro-N-(1,3-dioxobenzo[e]isoindol-4-yl)acetamide (PubChem CID 19855693) has the molecular formula C14H9ClN2O3 and a molecular weight of 288.69 g/mol. Its IUPAC name is N-chloro-N-(1,3-dioxobenzo[e]isoindol-4-yl)acetamide.

Molecular Properties

Compound NameN-chloro-N-(1,3-dioxobenzo[e]isoindol-4-yl)acetamide
PubChem CID19855693
Molecular FormulaC14H9ClN2O3
Molecular Weight288.69 g/mol
Exact Mass288.03
IUPAC NameN-chloro-N-(1,3-dioxobenzo[e]isoindol-4-yl)acetamide
SMILESCC(=O)N(Cl)c1cc2ccccc2c2c1C(=O)NC2=O
InChIInChI=1S/C14H9ClN2O3/c1-7(18)17(15)10-6-8-4-2-3-5-9(8)11-12(10)14(20)16-13(11)19/h2-6H,1H3,(H,16,19,20)
InChIKeyHBDRCDVHSTZTID-UHFFFAOYSA-N
XLogP2.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 52.23
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-(1,3-dioxobenzo[e]isoindol-4-yl)acetamide?
The IUPAC name of N-chloro-N-(1,3-dioxobenzo[e]isoindol-4-yl)acetamide (CID 19855693) is N-chloro-N-(1,3-dioxobenzo[e]isoindol-4-yl)acetamide.
What is the SMILES notation for N-chloro-N-(1,3-dioxobenzo[e]isoindol-4-yl)acetamide?
The canonical SMILES for N-chloro-N-(1,3-dioxobenzo[e]isoindol-4-yl)acetamide is CC(=O)N(Cl)c1cc2ccccc2c2c1C(=O)NC2=O.
What is the InChIKey of N-chloro-N-(1,3-dioxobenzo[e]isoindol-4-yl)acetamide?
The InChIKey is HBDRCDVHSTZTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O3/c1-7(18)17(15)10-6-8-4-2-3-5-9(8)11-12(10)14(20)16-13(11)19/h2-6H,1H3,(H,16,19,20).
What are the key properties of N-chloro-N-(1,3-dioxobenzo[e]isoindol-4-yl)acetamide?
N-chloro-N-(1,3-dioxobenzo[e]isoindol-4-yl)acetamide has a molecular weight of 288.69 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N-(1,3-dioxobenzo[e]isoindol-4-yl)acetamide is sourced from PubChem (CID 19855693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).