1-(3,5-dichlorophenyl)-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione

C17H11Cl2NO3 — CID 110582019

IUPAC1-(3,5-dichlorophenyl)-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(O)C(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1
InChIInChI=1S/C17H11Cl2NO3/c1-9-2-4-10(5-3-9)14-15(21)17(23)20(16(14)22)13-7-11(18)6-12(19)8-13/h2-8,21H,1H3
InChIKeyJTYJELCSCMAHNY-UHFFFAOYSA-N
MW348.19 g/mol
LogP4.14
Rot. Bonds2

About 1-(3,5-dichlorophenyl)-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione

1-(3,5-dichlorophenyl)-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione (PubChem CID 110582019) has the molecular formula C17H11Cl2NO3 and a molecular weight of 348.19 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione
PubChem CID110582019
Molecular FormulaC17H11Cl2NO3
Molecular Weight348.19 g/mol
Exact Mass347.01
IUPAC Name1-(3,5-dichlorophenyl)-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(O)C(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1
InChIInChI=1S/C17H11Cl2NO3/c1-9-2-4-10(5-3-9)14-15(21)17(23)20(16(14)22)13-7-11(18)6-12(19)8-13/h2-8,21H,1H3
InChIKeyJTYJELCSCMAHNY-UHFFFAOYSA-N
XLogP4.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 54.14
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-(4-chlorophenyl)-1-(3,5-dimethoxyphenyl)-4-hydroxypyrrole-2,5-dione
CID 110581815
1-(3,5-dimethylphenyl)-3-hydroxy-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110580961
3-hydroxy-4-(4-methoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110580996
3-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)-4-hydroxypyrrole-2,5-dione
CID 110584359
1-[4-(dimethylamino)phenyl]-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110581960
3-(2,4-dichlorophenyl)-4-hydroxy-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110581784
1-(5-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-hydroxypyrrole-2,5-dione
CID 110581888
1-(3-chloro-2-methylphenyl)-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110582015
N-[4-[1-(3-chlorophenyl)-4-hydroxy-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110581375
3-hydroxy-4-(4-methylphenyl)-1-[3-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110581944
1-(3-chlorophenyl)-3-(4-ethoxyphenyl)-4-hydroxypyrrole-2,5-dione
CID 110583357
1-(3-chlorophenyl)-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110582302

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione (CID 110582019) is 1-(3,5-dichlorophenyl)-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione is Cc1ccc(C2=C(O)C(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione?
The InChIKey is JTYJELCSCMAHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2NO3/c1-9-2-4-10(5-3-9)14-15(21)17(23)20(16(14)22)13-7-11(18)6-12(19)8-13/h2-8,21H,1H3.
What are the key properties of 1-(3,5-dichlorophenyl)-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione?
1-(3,5-dichlorophenyl)-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione has a molecular weight of 348.19 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-hydroxy-4-(4-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110582019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).