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

C19H17ClN2O4 — CID 1033972

IUPAC3-chloro-4-(2-ethoxyanilino)-1-(4-methoxyphenyl)pyrrole-2,5-dione
SMILESCCOc1ccccc1NC1=C(Cl)C(=O)N(c2ccc(OC)cc2)C1=O
InChIInChI=1S/C19H17ClN2O4/c1-3-26-15-7-5-4-6-14(15)21-17-16(20)18(23)22(19(17)24)12-8-10-13(25-2)11-9-12/h4-11,21H,3H2,1-2H3
InChIKeyVEZUSVWVGQVDLE-UHFFFAOYSA-N
MW372.81 g/mol
LogP3.53
Rot. Bonds6

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

3-chloro-4-(2-ethoxyanilino)-1-(4-methoxyphenyl)pyrrole-2,5-dione (PubChem CID 1033972) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is 3-chloro-4-(2-ethoxyanilino)-1-(4-methoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-4-(2-ethoxyanilino)-1-(4-methoxyphenyl)pyrrole-2,5-dione
PubChem CID1033972
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC Name3-chloro-4-(2-ethoxyanilino)-1-(4-methoxyphenyl)pyrrole-2,5-dione
SMILESCCOc1ccccc1NC1=C(Cl)C(=O)N(c2ccc(OC)cc2)C1=O
InChIInChI=1S/C19H17ClN2O4/c1-3-26-15-7-5-4-6-14(15)21-17-16(20)18(23)22(19(17)24)12-8-10-13(25-2)11-9-12/h4-11,21H,3H2,1-2H3
InChIKeyVEZUSVWVGQVDLE-UHFFFAOYSA-N
XLogP3.53
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-ethoxyanilino)-1-(4-methoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-4-(2-ethoxyanilino)-1-(4-methoxyphenyl)pyrrole-2,5-dione (CID 1033972) is 3-chloro-4-(2-ethoxyanilino)-1-(4-methoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-4-(2-ethoxyanilino)-1-(4-methoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-4-(2-ethoxyanilino)-1-(4-methoxyphenyl)pyrrole-2,5-dione is CCOc1ccccc1NC1=C(Cl)C(=O)N(c2ccc(OC)cc2)C1=O.
What is the InChIKey of 3-chloro-4-(2-ethoxyanilino)-1-(4-methoxyphenyl)pyrrole-2,5-dione?
The InChIKey is VEZUSVWVGQVDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c1-3-26-15-7-5-4-6-14(15)21-17-16(20)18(23)22(19(17)24)12-8-10-13(25-2)11-9-12/h4-11,21H,3H2,1-2H3.
What are the key properties of 3-chloro-4-(2-ethoxyanilino)-1-(4-methoxyphenyl)pyrrole-2,5-dione?
3-chloro-4-(2-ethoxyanilino)-1-(4-methoxyphenyl)pyrrole-2,5-dione has a molecular weight of 372.81 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-ethoxyanilino)-1-(4-methoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 1033972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).