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

C19H17ClN2O4 — CID 1033956

IUPAC3-chloro-4-(2,4-dimethoxyanilino)-1-(4-methylphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(NC2=C(Cl)C(=O)N(c3ccc(C)cc3)C2=O)c(OC)c1
InChIInChI=1S/C19H17ClN2O4/c1-11-4-6-12(7-5-11)22-18(23)16(20)17(19(22)24)21-14-9-8-13(25-2)10-15(14)26-3/h4-10,21H,1-3H3
InChIKeyFDNWGZIZRHQZFT-UHFFFAOYSA-N
MW372.81 g/mol
LogP3.45
Rot. Bonds5

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

3-chloro-4-(2,4-dimethoxyanilino)-1-(4-methylphenyl)pyrrole-2,5-dione (PubChem CID 1033956) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is 3-chloro-4-(2,4-dimethoxyanilino)-1-(4-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-4-(2,4-dimethoxyanilino)-1-(4-methylphenyl)pyrrole-2,5-dione
PubChem CID1033956
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC Name3-chloro-4-(2,4-dimethoxyanilino)-1-(4-methylphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(NC2=C(Cl)C(=O)N(c3ccc(C)cc3)C2=O)c(OC)c1
InChIInChI=1S/C19H17ClN2O4/c1-11-4-6-12(7-5-11)22-18(23)16(20)17(19(22)24)21-14-9-8-13(25-2)10-15(14)26-3/h4-10,21H,1-3H3
InChIKeyFDNWGZIZRHQZFT-UHFFFAOYSA-N
XLogP3.45
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 53.45
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-(3,4-dichlorophenyl)-4-(2,4-dimethoxyanilino)pyrrole-2,5-dione
CID 1180662
3-chloro-1-(3-chlorophenyl)-4-(2,4-dimethoxyanilino)pyrrole-2,5-dione
CID 1185307
3-chloro-4-(2,5-dimethoxyanilino)-1-(3-methylphenyl)pyrrole-2,5-dione
CID 1184789
3-chloro-1-(3-chlorophenyl)-4-(2,5-dimethoxyanilino)pyrrole-2,5-dione
CID 1185308
3-chloro-4-(3-methoxyanilino)-1-(4-methoxyphenyl)pyrrole-2,5-dione
CID 1033968
3-chloro-1-(4-chlorophenyl)-4-(2,4-dimethylanilino)pyrrole-2,5-dione
CID 1185285
3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(3-methoxyphenyl)-4-methylbenzamide
CID 1407534
N-(5-chloro-2-methoxyphenyl)-3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-4-methylbenzamide
CID 1407525
3-(2,5-dimethoxyanilino)-4-(4-ethoxyphenyl)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 110588350
1-(4-chlorophenyl)-3-(2,5-dimethoxyanilino)-4-(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110589585
3-chloro-1-(4-methoxyphenyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110584236
3-chloro-4-(3-chloro-4-methylanilino)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 1033955

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2,4-dimethoxyanilino)-1-(4-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-4-(2,4-dimethoxyanilino)-1-(4-methylphenyl)pyrrole-2,5-dione (CID 1033956) is 3-chloro-4-(2,4-dimethoxyanilino)-1-(4-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-4-(2,4-dimethoxyanilino)-1-(4-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-4-(2,4-dimethoxyanilino)-1-(4-methylphenyl)pyrrole-2,5-dione is COc1ccc(NC2=C(Cl)C(=O)N(c3ccc(C)cc3)C2=O)c(OC)c1.
What is the InChIKey of 3-chloro-4-(2,4-dimethoxyanilino)-1-(4-methylphenyl)pyrrole-2,5-dione?
The InChIKey is FDNWGZIZRHQZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c1-11-4-6-12(7-5-11)22-18(23)16(20)17(19(22)24)21-14-9-8-13(25-2)10-15(14)26-3/h4-10,21H,1-3H3.
What are the key properties of 3-chloro-4-(2,4-dimethoxyanilino)-1-(4-methylphenyl)pyrrole-2,5-dione?
3-chloro-4-(2,4-dimethoxyanilino)-1-(4-methylphenyl)pyrrole-2,5-dione has a molecular weight of 372.81 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2,4-dimethoxyanilino)-1-(4-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 1033956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).