3-chloro-4-(4-ethoxyphenyl)-1-(2-methoxyphenyl)pyrrole-2,5-dione

C19H16ClNO4 — CID 110581130

IUPAC3-chloro-4-(4-ethoxyphenyl)-1-(2-methoxyphenyl)pyrrole-2,5-dione
SMILESCCOc1ccc(C2=C(Cl)C(=O)N(c3ccccc3OC)C2=O)cc1
InChIInChI=1S/C19H16ClNO4/c1-3-25-13-10-8-12(9-11-13)16-17(20)19(23)21(18(16)22)14-6-4-5-7-15(14)24-2/h4-11H,3H2,1-2H3
InChIKeyYAFJAOKOSTVDCI-UHFFFAOYSA-N
MW357.79 g/mol
LogP3.62
Rot. Bonds5

About 3-chloro-4-(4-ethoxyphenyl)-1-(2-methoxyphenyl)pyrrole-2,5-dione

3-chloro-4-(4-ethoxyphenyl)-1-(2-methoxyphenyl)pyrrole-2,5-dione (PubChem CID 110581130) has the molecular formula C19H16ClNO4 and a molecular weight of 357.79 g/mol. Its IUPAC name is 3-chloro-4-(4-ethoxyphenyl)-1-(2-methoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-4-(4-ethoxyphenyl)-1-(2-methoxyphenyl)pyrrole-2,5-dione
PubChem CID110581130
Molecular FormulaC19H16ClNO4
Molecular Weight357.79 g/mol
Exact Mass357.08
IUPAC Name3-chloro-4-(4-ethoxyphenyl)-1-(2-methoxyphenyl)pyrrole-2,5-dione
SMILESCCOc1ccc(C2=C(Cl)C(=O)N(c3ccccc3OC)C2=O)cc1
InChIInChI=1S/C19H16ClNO4/c1-3-25-13-10-8-12(9-11-13)16-17(20)19(23)21(18(16)22)14-6-4-5-7-15(14)24-2/h4-11H,3H2,1-2H3
InChIKeyYAFJAOKOSTVDCI-UHFFFAOYSA-N
XLogP3.62
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-ethoxyphenyl)-4-[2-hydroxyethyl(methyl)amino]-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110547860
3-chloro-1-(2-ethoxyphenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110580699
3-chloro-4-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110583733
3-chloro-1-(2-chlorophenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110583260
3-chloro-1-(2-methylphenyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110584674
3-(2-ethoxyanilino)-1-(2-methoxyphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593653
3-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrrole-2,5-dione
CID 110546666
3-anilino-1-(2-ethoxyphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593309
3-(3-ethoxyanilino)-1-(2-ethoxyphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593295
3-chloro-4-(4-ethoxyphenyl)-1-(4-pyrrolidin-1-ylphenyl)pyrrole-2,5-dione
CID 110581039
3-(2-ethoxyanilino)-1-(2-methoxyphenyl)-4-phenylpyrrole-2,5-dione
CID 110595834
3-(4-methoxyanilino)-1-(2-methoxyphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593657

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(4-ethoxyphenyl)-1-(2-methoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-4-(4-ethoxyphenyl)-1-(2-methoxyphenyl)pyrrole-2,5-dione (CID 110581130) is 3-chloro-4-(4-ethoxyphenyl)-1-(2-methoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-4-(4-ethoxyphenyl)-1-(2-methoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-4-(4-ethoxyphenyl)-1-(2-methoxyphenyl)pyrrole-2,5-dione is CCOc1ccc(C2=C(Cl)C(=O)N(c3ccccc3OC)C2=O)cc1.
What is the InChIKey of 3-chloro-4-(4-ethoxyphenyl)-1-(2-methoxyphenyl)pyrrole-2,5-dione?
The InChIKey is YAFJAOKOSTVDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4/c1-3-25-13-10-8-12(9-11-13)16-17(20)19(23)21(18(16)22)14-6-4-5-7-15(14)24-2/h4-11H,3H2,1-2H3.
What are the key properties of 3-chloro-4-(4-ethoxyphenyl)-1-(2-methoxyphenyl)pyrrole-2,5-dione?
3-chloro-4-(4-ethoxyphenyl)-1-(2-methoxyphenyl)pyrrole-2,5-dione has a molecular weight of 357.79 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(4-ethoxyphenyl)-1-(2-methoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110581130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).