1-(2-chlorophenyl)-3-(2,4-dichlorophenyl)-4-hydroxypyrrole-2,5-dione

C16H8Cl3NO3 — CID 110581807

IUPAC1-(2-chlorophenyl)-3-(2,4-dichlorophenyl)-4-hydroxypyrrole-2,5-dione
SMILESO=C1C(O)=C(c2ccc(Cl)cc2Cl)C(=O)N1c1ccccc1Cl
InChIInChI=1S/C16H8Cl3NO3/c17-8-5-6-9(11(19)7-8)13-14(21)16(23)20(15(13)22)12-4-2-1-3-10(12)18/h1-7,21H
InChIKeyOUHCRIVVVYNFNO-UHFFFAOYSA-N
MW368.60 g/mol
LogP4.49
Rot. Bonds2

About 1-(2-chlorophenyl)-3-(2,4-dichlorophenyl)-4-hydroxypyrrole-2,5-dione

1-(2-chlorophenyl)-3-(2,4-dichlorophenyl)-4-hydroxypyrrole-2,5-dione (PubChem CID 110581807) has the molecular formula C16H8Cl3NO3 and a molecular weight of 368.60 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(2,4-dichlorophenyl)-4-hydroxypyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(2,4-dichlorophenyl)-4-hydroxypyrrole-2,5-dione
PubChem CID110581807
Molecular FormulaC16H8Cl3NO3
Molecular Weight368.60 g/mol
Exact Mass366.96
IUPAC Name1-(2-chlorophenyl)-3-(2,4-dichlorophenyl)-4-hydroxypyrrole-2,5-dione
SMILESO=C1C(O)=C(c2ccc(Cl)cc2Cl)C(=O)N1c1ccccc1Cl
InChIInChI=1S/C16H8Cl3NO3/c17-8-5-6-9(11(19)7-8)13-14(21)16(23)20(15(13)22)12-4-2-1-3-10(12)18/h1-7,21H
InChIKeyOUHCRIVVVYNFNO-UHFFFAOYSA-N
XLogP4.49
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.60
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dichlorophenyl)-4-hydroxy-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110581784
3-(2,4-dichlorophenyl)-1-(2-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110568680
1-(4-chloro-2-methylphenyl)-3-(2,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione
CID 110582709
3-(2,4-dichlorophenyl)-4-(2-hydroxyethylsulfanyl)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110568944
3-benzylsulfanyl-4-(2,4-dichlorophenyl)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110568943
3-chloro-1-(5-chloro-2-methoxyphenyl)-4-(2,4-dichlorophenyl)pyrrole-2,5-dione
CID 110584016
1-(5-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-hydroxypyrrole-2,5-dione
CID 110581888
3-(2,4-dichlorophenyl)-1-(2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110568882
1-(3-chloro-2-methylphenyl)-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110582015
3-(2,4-dichlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110568879
2-(2,4-dichlorophenyl)-5-[2-(2,4-dichlorophenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
CID 129198914
1-(2-chlorophenyl)-3-(2,4-dimethylphenyl)-4-ethylsulfanylpyrrole-2,5-dione
CID 110580585

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(2,4-dichlorophenyl)-4-hydroxypyrrole-2,5-dione?
The IUPAC name of 1-(2-chlorophenyl)-3-(2,4-dichlorophenyl)-4-hydroxypyrrole-2,5-dione (CID 110581807) is 1-(2-chlorophenyl)-3-(2,4-dichlorophenyl)-4-hydroxypyrrole-2,5-dione.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(2,4-dichlorophenyl)-4-hydroxypyrrole-2,5-dione?
The canonical SMILES for 1-(2-chlorophenyl)-3-(2,4-dichlorophenyl)-4-hydroxypyrrole-2,5-dione is O=C1C(O)=C(c2ccc(Cl)cc2Cl)C(=O)N1c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(2,4-dichlorophenyl)-4-hydroxypyrrole-2,5-dione?
The InChIKey is OUHCRIVVVYNFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl3NO3/c17-8-5-6-9(11(19)7-8)13-14(21)16(23)20(15(13)22)12-4-2-1-3-10(12)18/h1-7,21H.
What are the key properties of 1-(2-chlorophenyl)-3-(2,4-dichlorophenyl)-4-hydroxypyrrole-2,5-dione?
1-(2-chlorophenyl)-3-(2,4-dichlorophenyl)-4-hydroxypyrrole-2,5-dione has a molecular weight of 368.60 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(2,4-dichlorophenyl)-4-hydroxypyrrole-2,5-dione is sourced from PubChem (CID 110581807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).