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

C19H14Cl3NO3 — CID 110583912

IUPAC3-chloro-4-(2,4-dichlorophenyl)-1-(3-propoxyphenyl)pyrrole-2,5-dione
SMILESCCCOc1cccc(N2C(=O)C(Cl)=C(c3ccc(Cl)cc3Cl)C2=O)c1
InChIInChI=1S/C19H14Cl3NO3/c1-2-8-26-13-5-3-4-12(10-13)23-18(24)16(17(22)19(23)25)14-7-6-11(20)9-15(14)21/h3-7,9-10H,2,8H2,1H3
InChIKeyPWKFQZHKDOTVPJ-UHFFFAOYSA-N
MW410.68 g/mol
LogP5.31
Rot. Bonds5

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

3-chloro-4-(2,4-dichlorophenyl)-1-(3-propoxyphenyl)pyrrole-2,5-dione (PubChem CID 110583912) has the molecular formula C19H14Cl3NO3 and a molecular weight of 410.68 g/mol. Its IUPAC name is 3-chloro-4-(2,4-dichlorophenyl)-1-(3-propoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-4-(2,4-dichlorophenyl)-1-(3-propoxyphenyl)pyrrole-2,5-dione
PubChem CID110583912
Molecular FormulaC19H14Cl3NO3
Molecular Weight410.68 g/mol
Exact Mass409.00
IUPAC Name3-chloro-4-(2,4-dichlorophenyl)-1-(3-propoxyphenyl)pyrrole-2,5-dione
SMILESCCCOc1cccc(N2C(=O)C(Cl)=C(c3ccc(Cl)cc3Cl)C2=O)c1
InChIInChI=1S/C19H14Cl3NO3/c1-2-8-26-13-5-3-4-12(10-13)23-18(24)16(17(22)19(23)25)14-7-6-11(20)9-15(14)21/h3-7,9-10H,2,8H2,1H3
InChIKeyPWKFQZHKDOTVPJ-UHFFFAOYSA-N
XLogP5.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.68
LogP ≤ 55.31
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-4-[4-(2-methylpropoxy)phenyl]-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110582474
3-(2,4-dichlorophenyl)-1-methyl-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110598798
3-(2,4-dichlorophenyl)-1-ethyl-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110598770
1-(4-butylphenyl)-3-chloro-4-(2,4-dichlorophenyl)pyrrole-2,5-dione
CID 110583993
3-chloro-1-(3,5-dichlorophenyl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110584631
3-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110568997
3-chloro-4-(2,4-dichlorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrrole-2,5-dione
CID 110583914
3-(4-chlorophenyl)-1-(3-fluorophenyl)-4-(3-propoxyanilino)pyrrole-2,5-dione
CID 110599632
3-chloro-4-(3,4-dimethylphenyl)-1-(3-ethoxyphenyl)pyrrole-2,5-dione
CID 110582083
3-chloro-1-(5-chloro-2-methoxyphenyl)-4-(2,4-dichlorophenyl)pyrrole-2,5-dione
CID 110584016
3-anilino-4-phenyl-1-(3-propoxyphenyl)pyrrole-2,5-dione
CID 110593914
1-(3-ethoxyphenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582348

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2,4-dichlorophenyl)-1-(3-propoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-4-(2,4-dichlorophenyl)-1-(3-propoxyphenyl)pyrrole-2,5-dione (CID 110583912) is 3-chloro-4-(2,4-dichlorophenyl)-1-(3-propoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-4-(2,4-dichlorophenyl)-1-(3-propoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-4-(2,4-dichlorophenyl)-1-(3-propoxyphenyl)pyrrole-2,5-dione is CCCOc1cccc(N2C(=O)C(Cl)=C(c3ccc(Cl)cc3Cl)C2=O)c1.
What is the InChIKey of 3-chloro-4-(2,4-dichlorophenyl)-1-(3-propoxyphenyl)pyrrole-2,5-dione?
The InChIKey is PWKFQZHKDOTVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl3NO3/c1-2-8-26-13-5-3-4-12(10-13)23-18(24)16(17(22)19(23)25)14-7-6-11(20)9-15(14)21/h3-7,9-10H,2,8H2,1H3.
What are the key properties of 3-chloro-4-(2,4-dichlorophenyl)-1-(3-propoxyphenyl)pyrrole-2,5-dione?
3-chloro-4-(2,4-dichlorophenyl)-1-(3-propoxyphenyl)pyrrole-2,5-dione has a molecular weight of 410.68 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2,4-dichlorophenyl)-1-(3-propoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110583912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).