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

C12H9Cl2NO2 — CID 43198816

IUPAC1-[1-(2,4-dichlorophenyl)ethyl]pyrrole-2,5-dione
SMILESCC(c1ccc(Cl)cc1Cl)N1C(=O)C=CC1=O
InChIInChI=1S/C12H9Cl2NO2/c1-7(15-11(16)4-5-12(15)17)9-3-2-8(13)6-10(9)14/h2-7H,1H3
InChIKeyAJAFUDSILGCEGT-UHFFFAOYSA-N
MW270.12 g/mol
LogP2.98
Rot. Bonds2

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

1-[1-(2,4-dichlorophenyl)ethyl]pyrrole-2,5-dione (PubChem CID 43198816) has the molecular formula C12H9Cl2NO2 and a molecular weight of 270.12 g/mol. Its IUPAC name is 1-[1-(2,4-dichlorophenyl)ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[1-(2,4-dichlorophenyl)ethyl]pyrrole-2,5-dione
PubChem CID43198816
Molecular FormulaC12H9Cl2NO2
Molecular Weight270.12 g/mol
Exact Mass269.00
IUPAC Name1-[1-(2,4-dichlorophenyl)ethyl]pyrrole-2,5-dione
SMILESCC(c1ccc(Cl)cc1Cl)N1C(=O)C=CC1=O
InChIInChI=1S/C12H9Cl2NO2/c1-7(15-11(16)4-5-12(15)17)9-3-2-8(13)6-10(9)14/h2-7H,1H3
InChIKeyAJAFUDSILGCEGT-UHFFFAOYSA-N
XLogP2.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 52.98
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

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CID 63443975
1-[1-(2,4-dichlorophenyl)ethyl]-4-hydroxy-3-(hydroxymethyl)-3-methylpyrrolidine-2,5-dione
CID 102468792
(1S)-1-(2,4-dichlorophenyl)ethanamine
CID 2496562
1-(2,4-dichlorophenyl)ethanamine;ethane
CID 142953133
(S)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 11565570
2-(2,4-dichlorophenyl)propanoyl chloride
CID 14408749
(1S,2R)-1-(2,4-dichlorophenyl)-2-methylbut-3-en-1-ol
CID 15421862
[(2R)-1-(2,4-dichlorophenyl)-1-hydroxypropan-2-yl] carbamate
CID 145362480
2,4-dichloro-1-(1-isocyanoethyl)benzene
CID 3974508
1-chloro-4-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene
CID 158524706
(2S)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]propan-2-ol
CID 93082094
1-[1-(2,4-dichlorophenyl)ethyl]piperidine-4-carboxylic acid
CID 3945055

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dichlorophenyl)ethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[1-(2,4-dichlorophenyl)ethyl]pyrrole-2,5-dione (CID 43198816) is 1-[1-(2,4-dichlorophenyl)ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[1-(2,4-dichlorophenyl)ethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[1-(2,4-dichlorophenyl)ethyl]pyrrole-2,5-dione is CC(c1ccc(Cl)cc1Cl)N1C(=O)C=CC1=O.
What is the InChIKey of 1-[1-(2,4-dichlorophenyl)ethyl]pyrrole-2,5-dione?
The InChIKey is AJAFUDSILGCEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO2/c1-7(15-11(16)4-5-12(15)17)9-3-2-8(13)6-10(9)14/h2-7H,1H3.
What are the key properties of 1-[1-(2,4-dichlorophenyl)ethyl]pyrrole-2,5-dione?
1-[1-(2,4-dichlorophenyl)ethyl]pyrrole-2,5-dione has a molecular weight of 270.12 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dichlorophenyl)ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 43198816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).