3-chloro-1-(2,3-dichlorophenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione

C19H14Cl3NO3 — CID 110584552

IUPAC3-chloro-1-(2,3-dichlorophenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
SMILESCC(C)Oc1ccc(C2=C(Cl)C(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1
InChIInChI=1S/C19H14Cl3NO3/c1-10(2)26-12-8-6-11(7-9-12)15-17(22)19(25)23(18(15)24)14-5-3-4-13(20)16(14)21/h3-10H,1-2H3
InChIKeyPBJBJBBJZPEVPQ-UHFFFAOYSA-N
MW410.68 g/mol
LogP5.30
Rot. Bonds4

About 3-chloro-1-(2,3-dichlorophenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione

3-chloro-1-(2,3-dichlorophenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione (PubChem CID 110584552) has the molecular formula C19H14Cl3NO3 and a molecular weight of 410.68 g/mol. Its IUPAC name is 3-chloro-1-(2,3-dichlorophenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-1-(2,3-dichlorophenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
PubChem CID110584552
Molecular FormulaC19H14Cl3NO3
Molecular Weight410.68 g/mol
Exact Mass409.00
IUPAC Name3-chloro-1-(2,3-dichlorophenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
SMILESCC(C)Oc1ccc(C2=C(Cl)C(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1
InChIInChI=1S/C19H14Cl3NO3/c1-10(2)26-12-8-6-11(7-9-12)15-17(22)19(25)23(18(15)24)14-5-3-4-13(20)16(14)21/h3-10H,1-2H3
InChIKeyPBJBJBBJZPEVPQ-UHFFFAOYSA-N
XLogP5.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.68
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-1-(2,3-dichlorophenyl)-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110582598
3-chloro-1-(2,4-dimethylphenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110584537
3-chloro-4-(4-propan-2-yloxyphenyl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
CID 110584540
3-chloro-1-(2-chlorophenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110583260
3-chloro-4-(4-fluorophenyl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110580860
3-chloro-4-(4-propan-2-yloxyphenyl)-1-[4-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110584545
1-benzyl-3-chloro-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110584457
1-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110558315
N-[4-[4-chloro-1-(3-chloro-2-methylphenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110583591
1-(3-chlorophenyl)-3-hydroxy-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110582302
3-chloro-1-(2-methylphenyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110584674
3-chloro-4-(4-ethoxyphenyl)-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110581130

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(2,3-dichlorophenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-1-(2,3-dichlorophenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione (CID 110584552) is 3-chloro-1-(2,3-dichlorophenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-1-(2,3-dichlorophenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-1-(2,3-dichlorophenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione is CC(C)Oc1ccc(C2=C(Cl)C(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1.
What is the InChIKey of 3-chloro-1-(2,3-dichlorophenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
The InChIKey is PBJBJBBJZPEVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl3NO3/c1-10(2)26-12-8-6-11(7-9-12)15-17(22)19(25)23(18(15)24)14-5-3-4-13(20)16(14)21/h3-10H,1-2H3.
What are the key properties of 3-chloro-1-(2,3-dichlorophenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?
3-chloro-1-(2,3-dichlorophenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione has a molecular weight of 410.68 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2,3-dichlorophenyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110584552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).