1-(5-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-4-hydroxypyrrole-2,5-dione

C19H16ClNO5 — CID 110581493

IUPAC1-(5-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-4-hydroxypyrrole-2,5-dione
SMILESCOc1ccc(C2=C(O)C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OC
InChIInChI=1S/C19H16ClNO5/c1-10-4-6-12(20)9-13(10)21-18(23)16(17(22)19(21)24)11-5-7-14(25-2)15(8-11)26-3/h4-9,22H,1-3H3
InChIKeyIQACFVZZOZRQOG-UHFFFAOYSA-N
MW373.79 g/mol
LogP3.51
Rot. Bonds4

About 1-(5-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-4-hydroxypyrrole-2,5-dione

1-(5-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-4-hydroxypyrrole-2,5-dione (PubChem CID 110581493) has the molecular formula C19H16ClNO5 and a molecular weight of 373.79 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-4-hydroxypyrrole-2,5-dione.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-4-hydroxypyrrole-2,5-dione
PubChem CID110581493
Molecular FormulaC19H16ClNO5
Molecular Weight373.79 g/mol
Exact Mass373.07
IUPAC Name1-(5-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-4-hydroxypyrrole-2,5-dione
SMILESCOc1ccc(C2=C(O)C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OC
InChIInChI=1S/C19H16ClNO5/c1-10-4-6-12(20)9-13(10)21-18(23)16(17(22)19(21)24)11-5-7-14(25-2)15(8-11)26-3/h4-9,22H,1-3H3
InChIKeyIQACFVZZOZRQOG-UHFFFAOYSA-N
XLogP3.51
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.79
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-hydroxypyrrole-2,5-dione
CID 110581888
1-(5-chloro-2-methylphenyl)-3-(4-fluorophenyl)-4-hydroxypyrrole-2,5-dione
CID 110582945
1-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-4-hydroxypyrrole-2,5-dione
CID 110584393
1-(5-chloro-2-methylphenyl)-3-hydroxy-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110584765
3-(3,4-dimethoxyphenyl)-4-hydroxy-1-(3-methylphenyl)pyrrole-2,5-dione
CID 110581509
3-chloro-4-(3,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 110583763
1-(5-chloro-2-methylphenyl)-3-(4-methoxyanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593342
3-(5-chloro-2-methylanilino)-4-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110597249
1-(5-chloro-2-methoxyphenyl)-3-(3,4-dimethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110550560
3-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110564830
3-(4-chlorophenyl)-1-(3,5-dimethoxyphenyl)-4-hydroxypyrrole-2,5-dione
CID 110581815
3-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110564834

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-4-hydroxypyrrole-2,5-dione?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-4-hydroxypyrrole-2,5-dione (CID 110581493) is 1-(5-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-4-hydroxypyrrole-2,5-dione.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-4-hydroxypyrrole-2,5-dione?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-4-hydroxypyrrole-2,5-dione is COc1ccc(C2=C(O)C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1OC.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-4-hydroxypyrrole-2,5-dione?
The InChIKey is IQACFVZZOZRQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO5/c1-10-4-6-12(20)9-13(10)21-18(23)16(17(22)19(21)24)11-5-7-14(25-2)15(8-11)26-3/h4-9,22H,1-3H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-4-hydroxypyrrole-2,5-dione?
1-(5-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-4-hydroxypyrrole-2,5-dione has a molecular weight of 373.79 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-4-hydroxypyrrole-2,5-dione is sourced from PubChem (CID 110581493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).