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

C18H13Cl3N2O4 — CID 1180622

IUPAC3-chloro-4-(5-chloro-2-methoxyanilino)-1-(5-chloro-2-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(Cl)cc1NC1=C(Cl)C(=O)N(c2cc(Cl)ccc2OC)C1=O
InChIInChI=1S/C18H13Cl3N2O4/c1-26-13-5-3-9(19)7-11(13)22-16-15(21)17(24)23(18(16)25)12-8-10(20)4-6-14(12)27-2/h3-8,22H,1-2H3
InChIKeyGVKLUTFTFXLPGV-UHFFFAOYSA-N
MW427.67 g/mol
LogP4.45
Rot. Bonds5

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

3-chloro-4-(5-chloro-2-methoxyanilino)-1-(5-chloro-2-methoxyphenyl)pyrrole-2,5-dione (PubChem CID 1180622) has the molecular formula C18H13Cl3N2O4 and a molecular weight of 427.67 g/mol. Its IUPAC name is 3-chloro-4-(5-chloro-2-methoxyanilino)-1-(5-chloro-2-methoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-4-(5-chloro-2-methoxyanilino)-1-(5-chloro-2-methoxyphenyl)pyrrole-2,5-dione
PubChem CID1180622
Molecular FormulaC18H13Cl3N2O4
Molecular Weight427.67 g/mol
Exact Mass425.99
IUPAC Name3-chloro-4-(5-chloro-2-methoxyanilino)-1-(5-chloro-2-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(Cl)cc1NC1=C(Cl)C(=O)N(c2cc(Cl)ccc2OC)C1=O
InChIInChI=1S/C18H13Cl3N2O4/c1-26-13-5-3-9(19)7-11(13)22-16-15(21)17(24)23(18(16)25)12-8-10(20)4-6-14(12)27-2/h3-8,22H,1-2H3
InChIKeyGVKLUTFTFXLPGV-UHFFFAOYSA-N
XLogP4.45
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.67
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-chloro-4-(5-chloro-2-methoxyanilino)-1-(5-chloro-2-methoxyphenyl)pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-4-(5-chloro-2-methoxyanilino)-1-(2,3-dimethylphenyl)pyrrole-2,5-dione
CID 1182466
3-chloro-1-(3-chlorophenyl)-4-(2,5-dimethoxyanilino)pyrrole-2,5-dione
CID 1185308
3-chloro-1-(5-chloro-2-methoxyphenyl)-4-(2,4-dichlorophenyl)pyrrole-2,5-dione
CID 110584016
3-chloro-4-(3-chloro-4-methoxyanilino)-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 1180646
6-(5-chloro-2-methoxyphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione
CID 20866768
3-chloro-4-(2,5-dimethoxyanilino)-1-(3-methylphenyl)pyrrole-2,5-dione
CID 1184789
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-methoxyphenyl)-3-(3,5-dimethylanilino)-4-phenylpyrrole-2,5-dione
CID 110595852
N-[4-acetamido-2,5-bis(5-chloro-2-methoxyanilino)-3,6-dioxocyclohexa-1,4-dien-1-yl]acetamide
CID 172839336
3-chloro-4-(4-fluoroanilino)-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 729503
1-(5-chloro-2-methylphenyl)-3-(2,5-dimethoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591539
3-chloro-1-(2,4-dichlorophenyl)-4-(3,4-dimethylanilino)pyrrole-2,5-dione
CID 1181085

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(5-chloro-2-methoxyanilino)-1-(5-chloro-2-methoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-4-(5-chloro-2-methoxyanilino)-1-(5-chloro-2-methoxyphenyl)pyrrole-2,5-dione (CID 1180622) is 3-chloro-4-(5-chloro-2-methoxyanilino)-1-(5-chloro-2-methoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-4-(5-chloro-2-methoxyanilino)-1-(5-chloro-2-methoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-4-(5-chloro-2-methoxyanilino)-1-(5-chloro-2-methoxyphenyl)pyrrole-2,5-dione is COc1ccc(Cl)cc1NC1=C(Cl)C(=O)N(c2cc(Cl)ccc2OC)C1=O.
What is the InChIKey of 3-chloro-4-(5-chloro-2-methoxyanilino)-1-(5-chloro-2-methoxyphenyl)pyrrole-2,5-dione?
The InChIKey is GVKLUTFTFXLPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl3N2O4/c1-26-13-5-3-9(19)7-11(13)22-16-15(21)17(24)23(18(16)25)12-8-10(20)4-6-14(12)27-2/h3-8,22H,1-2H3.
What are the key properties of 3-chloro-4-(5-chloro-2-methoxyanilino)-1-(5-chloro-2-methoxyphenyl)pyrrole-2,5-dione?
3-chloro-4-(5-chloro-2-methoxyanilino)-1-(5-chloro-2-methoxyphenyl)pyrrole-2,5-dione has a molecular weight of 427.67 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(5-chloro-2-methoxyanilino)-1-(5-chloro-2-methoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 1180622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).