1-[(3,4-dichlorophenyl)methyl]pyrrole-2,5-dione

C11H7Cl2NO2 — CID 2731206

IUPAC1-[(3,4-dichlorophenyl)methyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H7Cl2NO2/c12-8-2-1-7(5-9(8)13)6-14-10(15)3-4-11(14)16/h1-5H,6H2
InChIKeyVPWOZDFFUOJIJS-UHFFFAOYSA-N
MW256.09 g/mol
LogP2.42
Rot. Bonds2

About 1-[(3,4-dichlorophenyl)methyl]pyrrole-2,5-dione

1-[(3,4-dichlorophenyl)methyl]pyrrole-2,5-dione (PubChem CID 2731206) has the molecular formula C11H7Cl2NO2 and a molecular weight of 256.09 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]pyrrole-2,5-dione
PubChem CID2731206
Molecular FormulaC11H7Cl2NO2
Molecular Weight256.09 g/mol
Exact Mass254.99
IUPAC Name1-[(3,4-dichlorophenyl)methyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H7Cl2NO2/c12-8-2-1-7(5-9(8)13)6-14-10(15)3-4-11(14)16/h1-5H,6H2
InChIKeyVPWOZDFFUOJIJS-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
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

1-[(4-chlorophenyl)methyl]-2,5-dihydro-1H-pyrrole-2,5-dione
CID 2392334
1-(3,4-Dichlorobenzoyl)pyrrolidine
CID 669316
4-[(3,4-Dichlorophenyl)methyl]thiomorpholine-3,5-dione
CID 1478962
N-butyl-3,4-dichloro-N-ethylbenzamide
CID 2163962
1-[(3-Chlorophenyl)methyl]pyridin-2-one
CID 39967032
(E)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(3,4-dichlorophenyl)prop-2-en-1-one
CID 73330394
2-(1-cyanopyrrolidin-3-ylidene)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 141757236
N-butyl-3-[(3,4-dichlorophenyl)methyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide
CID 49795536
3,4-dichloro-N,N-dipropylbenzamide
CID 346731
1-(2,4-dichlorobenzyl)-1H-pyrrole-2,5-dione
CID 46227701
1H-Pyrrole-2,5-dione, 1-[2-(4-chlorophenyl)ethyl]-
CID 2732190
(2e)-4-Chloro-n-[(4-chlorophenyl)methyl]-n-(2-methylpropyl)pent-2-enamide
CID 13101265

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]pyrrole-2,5-dione?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]pyrrole-2,5-dione (CID 2731206) is 1-[(3,4-dichlorophenyl)methyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]pyrrole-2,5-dione?
The InChIKey is VPWOZDFFUOJIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NO2/c12-8-2-1-7(5-9(8)13)6-14-10(15)3-4-11(14)16/h1-5H,6H2.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]pyrrole-2,5-dione?
1-[(3,4-dichlorophenyl)methyl]pyrrole-2,5-dione has a molecular weight of 256.09 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]pyrrole-2,5-dione is sourced from PubChem (CID 2731206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).