1-[2-(2,3,4-trichlorophenyl)phenyl]pyrrole-2,5-dione

C16H8Cl3NO2 — CID 174836910

IUPAC1-[2-(2,3,4-trichlorophenyl)phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccccc1-c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C16H8Cl3NO2/c17-11-6-5-10(15(18)16(11)19)9-3-1-2-4-12(9)20-13(21)7-8-14(20)22/h1-8H
InChIKeyMNZFKSQVLWTCHZ-UHFFFAOYSA-N
MW352.60 g/mol
LogP4.74
Rot. Bonds2

About 1-[2-(2,3,4-trichlorophenyl)phenyl]pyrrole-2,5-dione

1-[2-(2,3,4-trichlorophenyl)phenyl]pyrrole-2,5-dione (PubChem CID 174836910) has the molecular formula C16H8Cl3NO2 and a molecular weight of 352.60 g/mol. Its IUPAC name is 1-[2-(2,3,4-trichlorophenyl)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-(2,3,4-trichlorophenyl)phenyl]pyrrole-2,5-dione
PubChem CID174836910
Molecular FormulaC16H8Cl3NO2
Molecular Weight352.60 g/mol
Exact Mass350.96
IUPAC Name1-[2-(2,3,4-trichlorophenyl)phenyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1ccccc1-c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C16H8Cl3NO2/c17-11-6-5-10(15(18)16(11)19)9-3-1-2-4-12(9)20-13(21)7-8-14(20)22/h1-8H
InChIKeyMNZFKSQVLWTCHZ-UHFFFAOYSA-N
XLogP4.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.60
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2,6-dimethylphenyl)phenyl]pyrrole-2,5-dione
CID 67802796
1-[2,5-dichloro-4-(2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione
CID 170594221
6-chloro-2-naphthalen-1-ylbenzo[de]isoquinoline-1,3-dione
CID 1016063
2-chloro-3-(2,3,4-trichlorophenyl)aniline
CID 134624040
ethane;1-(2-methylphenyl)pyrrole-2,5-dione
CID 67631676
2-chloro-6-(2,3,4-trichlorophenyl)aniline
CID 134618448
1-(2-methylsulfanylphenyl)pyrrole-2,5-dione
CID 708768
1-fluoro-4-(2,3,4-trichlorophenyl)naphthalene
CID 118847360
14-chloro-8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 129092357
2-(2,3-dichlorophenyl)-3H-isoindol-1-one
CID 842632
2-(2,3-dichlorophenyl)-6-(2-hydroxyethylamino)benzo[de]isoquinoline-1,3-dione
CID 11625506
2-(2,5-dioxopyrrol-1-yl)benzenesulfonamide
CID 18755844

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3,4-trichlorophenyl)phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-(2,3,4-trichlorophenyl)phenyl]pyrrole-2,5-dione (CID 174836910) is 1-[2-(2,3,4-trichlorophenyl)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-(2,3,4-trichlorophenyl)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-(2,3,4-trichlorophenyl)phenyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1c1ccccc1-c1ccc(Cl)c(Cl)c1Cl.
What is the InChIKey of 1-[2-(2,3,4-trichlorophenyl)phenyl]pyrrole-2,5-dione?
The InChIKey is MNZFKSQVLWTCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl3NO2/c17-11-6-5-10(15(18)16(11)19)9-3-1-2-4-12(9)20-13(21)7-8-14(20)22/h1-8H.
What are the key properties of 1-[2-(2,3,4-trichlorophenyl)phenyl]pyrrole-2,5-dione?
1-[2-(2,3,4-trichlorophenyl)phenyl]pyrrole-2,5-dione has a molecular weight of 352.60 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3,4-trichlorophenyl)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 174836910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).