3-chloro-4-(5-chloro-2-methoxyanilino)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione

C19H16Cl2N2O3 — CID 1182466

IUPAC3-chloro-4-(5-chloro-2-methoxyanilino)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(Cl)cc1NC1=C(Cl)C(=O)N(c2cccc(C)c2C)C1=O
InChIInChI=1S/C19H16Cl2N2O3/c1-10-5-4-6-14(11(10)2)23-18(24)16(21)17(19(23)25)22-13-9-12(20)7-8-15(13)26-3/h4-9,22H,1-3H3
InChIKeyPTMOCPPTKJWWFA-UHFFFAOYSA-N
MW391.25 g/mol
LogP4.40
Rot. Bonds4

About 3-chloro-4-(5-chloro-2-methoxyanilino)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione

3-chloro-4-(5-chloro-2-methoxyanilino)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione (PubChem CID 1182466) has the molecular formula C19H16Cl2N2O3 and a molecular weight of 391.25 g/mol. Its IUPAC name is 3-chloro-4-(5-chloro-2-methoxyanilino)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-4-(5-chloro-2-methoxyanilino)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione
PubChem CID1182466
Molecular FormulaC19H16Cl2N2O3
Molecular Weight391.25 g/mol
Exact Mass390.05
IUPAC Name3-chloro-4-(5-chloro-2-methoxyanilino)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(Cl)cc1NC1=C(Cl)C(=O)N(c2cccc(C)c2C)C1=O
InChIInChI=1S/C19H16Cl2N2O3/c1-10-5-4-6-14(11(10)2)23-18(24)16(21)17(19(23)25)22-13-9-12(20)7-8-15(13)26-3/h4-9,22H,1-3H3
InChIKeyPTMOCPPTKJWWFA-UHFFFAOYSA-N
XLogP4.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-(5-chloro-2-methoxyanilino)-1-(5-chloro-2-methoxyphenyl)pyrrole-2,5-dione
CID 1180622
3-chloro-4-(3,5-dimethylanilino)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione
CID 1182462
3-anilino-4-chloro-1-(2,3-dimethylphenyl)pyrrole-2,5-dione
CID 710533
3-chloro-1-(3-chlorophenyl)-4-(2,5-dimethoxyanilino)pyrrole-2,5-dione
CID 1185308
3-chloro-4-(3-chloroanilino)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 728018
3-chloro-4-(2,5-dimethoxyanilino)-1-(3-methylphenyl)pyrrole-2,5-dione
CID 1184789
3-chloro-4-(3-chloro-4-methoxyanilino)-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 1180646
N-(5-chloro-2-methoxyphenyl)-3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-4-methylbenzamide
CID 1407525
1-(5-chloro-2-methylphenyl)-3-(2,5-dimethoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591539
3-chloro-1-(3-chloro-4-methylphenyl)-4-(2,3-dimethylanilino)pyrrole-2,5-dione
CID 1181998
N-(5-chloro-2-methoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 6469583
3-chloro-4-(2-ethylanilino)-1-(2-methylphenyl)pyrrole-2,5-dione
CID 720385

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(5-chloro-2-methoxyanilino)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-4-(5-chloro-2-methoxyanilino)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione (CID 1182466) is 3-chloro-4-(5-chloro-2-methoxyanilino)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-4-(5-chloro-2-methoxyanilino)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-4-(5-chloro-2-methoxyanilino)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione is COc1ccc(Cl)cc1NC1=C(Cl)C(=O)N(c2cccc(C)c2C)C1=O.
What is the InChIKey of 3-chloro-4-(5-chloro-2-methoxyanilino)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione?
The InChIKey is PTMOCPPTKJWWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O3/c1-10-5-4-6-14(11(10)2)23-18(24)16(21)17(19(23)25)22-13-9-12(20)7-8-15(13)26-3/h4-9,22H,1-3H3.
What are the key properties of 3-chloro-4-(5-chloro-2-methoxyanilino)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione?
3-chloro-4-(5-chloro-2-methoxyanilino)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione has a molecular weight of 391.25 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(5-chloro-2-methoxyanilino)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 1182466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).