3-chloro-1-(3-chlorophenyl)-4-(2,4-dimethoxyanilino)pyrrole-2,5-dione

C18H14Cl2N2O4 — CID 1185307

IUPAC3-chloro-1-(3-chlorophenyl)-4-(2,4-dimethoxyanilino)pyrrole-2,5-dione
SMILESCOc1ccc(NC2=C(Cl)C(=O)N(c3cccc(Cl)c3)C2=O)c(OC)c1
InChIInChI=1S/C18H14Cl2N2O4/c1-25-12-6-7-13(14(9-12)26-2)21-16-15(20)17(23)22(18(16)24)11-5-3-4-10(19)8-11/h3-9,21H,1-2H3
InChIKeyRROITXBQQKCONS-UHFFFAOYSA-N
MW393.23 g/mol
LogP3.79
Rot. Bonds5

About 3-chloro-1-(3-chlorophenyl)-4-(2,4-dimethoxyanilino)pyrrole-2,5-dione

3-chloro-1-(3-chlorophenyl)-4-(2,4-dimethoxyanilino)pyrrole-2,5-dione (PubChem CID 1185307) has the molecular formula C18H14Cl2N2O4 and a molecular weight of 393.23 g/mol. Its IUPAC name is 3-chloro-1-(3-chlorophenyl)-4-(2,4-dimethoxyanilino)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-1-(3-chlorophenyl)-4-(2,4-dimethoxyanilino)pyrrole-2,5-dione
PubChem CID1185307
Molecular FormulaC18H14Cl2N2O4
Molecular Weight393.23 g/mol
Exact Mass392.03
IUPAC Name3-chloro-1-(3-chlorophenyl)-4-(2,4-dimethoxyanilino)pyrrole-2,5-dione
SMILESCOc1ccc(NC2=C(Cl)C(=O)N(c3cccc(Cl)c3)C2=O)c(OC)c1
InChIInChI=1S/C18H14Cl2N2O4/c1-25-12-6-7-13(14(9-12)26-2)21-16-15(20)17(23)22(18(16)24)11-5-3-4-10(19)8-11/h3-9,21H,1-2H3
InChIKeyRROITXBQQKCONS-UHFFFAOYSA-N
XLogP3.79
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.23
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_alk_B(3)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-1-(3-chlorophenyl)-4-(2,5-dimethoxyanilino)pyrrole-2,5-dione
CID 1185308
3-chloro-1-(3,4-dichlorophenyl)-4-(2,4-dimethoxyanilino)pyrrole-2,5-dione
CID 1180662
3-chloro-4-(2,4-dimethoxyanilino)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 1033956
3-chloro-4-(2,5-dimethoxyanilino)-1-(3-methylphenyl)pyrrole-2,5-dione
CID 1184789
1-(3-chlorophenyl)-3-(2,5-dimethoxyanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110587083
3-chloro-4-(3-methoxyanilino)-1-(4-methoxyphenyl)pyrrole-2,5-dione
CID 1033968
3-(3-chloro-2-methylanilino)-4-(2-methoxyphenyl)-1-(3-methoxyphenyl)pyrrole-2,5-dione
CID 110597292
3-chloro-4-(3-methoxyanilino)-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 1180917
2-chloro-3-(2,4-dimethoxyanilino)naphthalene-1,4-dione
CID 129009526
3-(2,5-dimethoxyanilino)-1-(3-methoxyphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110592520
3-chloro-4-(5-chloro-2-methoxyanilino)-1-(5-chloro-2-methoxyphenyl)pyrrole-2,5-dione
CID 1180622
3-[[4-chloro-1-(3-chlorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzamide
CID 1407772

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(3-chlorophenyl)-4-(2,4-dimethoxyanilino)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-1-(3-chlorophenyl)-4-(2,4-dimethoxyanilino)pyrrole-2,5-dione (CID 1185307) is 3-chloro-1-(3-chlorophenyl)-4-(2,4-dimethoxyanilino)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-1-(3-chlorophenyl)-4-(2,4-dimethoxyanilino)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-1-(3-chlorophenyl)-4-(2,4-dimethoxyanilino)pyrrole-2,5-dione is COc1ccc(NC2=C(Cl)C(=O)N(c3cccc(Cl)c3)C2=O)c(OC)c1.
What is the InChIKey of 3-chloro-1-(3-chlorophenyl)-4-(2,4-dimethoxyanilino)pyrrole-2,5-dione?
The InChIKey is RROITXBQQKCONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O4/c1-25-12-6-7-13(14(9-12)26-2)21-16-15(20)17(23)22(18(16)24)11-5-3-4-10(19)8-11/h3-9,21H,1-2H3.
What are the key properties of 3-chloro-1-(3-chlorophenyl)-4-(2,4-dimethoxyanilino)pyrrole-2,5-dione?
3-chloro-1-(3-chlorophenyl)-4-(2,4-dimethoxyanilino)pyrrole-2,5-dione has a molecular weight of 393.23 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(3-chlorophenyl)-4-(2,4-dimethoxyanilino)pyrrole-2,5-dione is sourced from PubChem (CID 1185307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).