1-benzyl-3,4-dichloropyrrole-2,5-dione

C11H7Cl2NO2 — CID 716772

IUPAC1-benzyl-3,4-dichloropyrrole-2,5-dione
SMILESO=C1C(Cl)=C(Cl)C(=O)N1Cc1ccccc1
InChIInChI=1S/C11H7Cl2NO2/c12-8-9(13)11(16)14(10(8)15)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyAMPIBHISOFMVMB-UHFFFAOYSA-N
MW256.09 g/mol
LogP2.24
Rot. Bonds2

About 1-benzyl-3,4-dichloropyrrole-2,5-dione

1-benzyl-3,4-dichloropyrrole-2,5-dione (PubChem CID 716772) has the molecular formula C11H7Cl2NO2 and a molecular weight of 256.09 g/mol. Its IUPAC name is 1-benzyl-3,4-dichloropyrrole-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3,4-dichloropyrrole-2,5-dione
PubChem CID716772
Molecular FormulaC11H7Cl2NO2
Molecular Weight256.09 g/mol
Exact Mass254.99
IUPAC Name1-benzyl-3,4-dichloropyrrole-2,5-dione
SMILESO=C1C(Cl)=C(Cl)C(=O)N1Cc1ccccc1
InChIInChI=1S/C11H7Cl2NO2/c12-8-9(13)11(16)14(10(8)15)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyAMPIBHISOFMVMB-UHFFFAOYSA-N
XLogP2.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzylmaleimide
CID 74204
Maleimide, N-phenethyl-
CID 243296
N-(3-Phenylpropyl)maleimide
CID 576189
N,N-Dibenzyl-2-chloroacetamide
CID 220099
1-benzyl-3-bromo-2,5-dihydro-1H-pyrrole-2,5-dione
CID 15628904
1-[(4-chlorophenyl)methyl]-2,5-dihydro-1H-pyrrole-2,5-dione
CID 2392334
1,4-Bis(malimido)xylene
CID 22022556
5-chloro-1-(2-fluorobenzyl)-2(1H)-pyridinone
CID 901046
1-benzyl-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione
CID 11435603
(R)-(+)-N-(1-Phenylethyl)maleimide
CID 671213
N-Benzyl-2,3-dibromomaleimide
CID 3457221
N-benzyl-N-methylacetamide
CID 4578210

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,4-dichloropyrrole-2,5-dione?
The IUPAC name of 1-benzyl-3,4-dichloropyrrole-2,5-dione (CID 716772) is 1-benzyl-3,4-dichloropyrrole-2,5-dione.
What is the SMILES notation for 1-benzyl-3,4-dichloropyrrole-2,5-dione?
The canonical SMILES for 1-benzyl-3,4-dichloropyrrole-2,5-dione is O=C1C(Cl)=C(Cl)C(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3,4-dichloropyrrole-2,5-dione?
The InChIKey is AMPIBHISOFMVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NO2/c12-8-9(13)11(16)14(10(8)15)6-7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of 1-benzyl-3,4-dichloropyrrole-2,5-dione?
1-benzyl-3,4-dichloropyrrole-2,5-dione has a molecular weight of 256.09 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,4-dichloropyrrole-2,5-dione is sourced from PubChem (CID 716772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).