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

C20H19ClN2O3 — CID 1186141

IUPAC3-chloro-4-(2-ethoxyanilino)-1-(4-ethylphenyl)pyrrole-2,5-dione
SMILESCCOc1ccccc1NC1=C(Cl)C(=O)N(c2ccc(CC)cc2)C1=O
InChIInChI=1S/C20H19ClN2O3/c1-3-13-9-11-14(12-10-13)23-19(24)17(21)18(20(23)25)22-15-7-5-6-8-16(15)26-4-2/h5-12,22H,3-4H2,1-2H3
InChIKeyPRCFIGCXGKSNQI-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.08
Rot. Bonds6

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

3-chloro-4-(2-ethoxyanilino)-1-(4-ethylphenyl)pyrrole-2,5-dione (PubChem CID 1186141) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 3-chloro-4-(2-ethoxyanilino)-1-(4-ethylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-4-(2-ethoxyanilino)-1-(4-ethylphenyl)pyrrole-2,5-dione
PubChem CID1186141
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name3-chloro-4-(2-ethoxyanilino)-1-(4-ethylphenyl)pyrrole-2,5-dione
SMILESCCOc1ccccc1NC1=C(Cl)C(=O)N(c2ccc(CC)cc2)C1=O
InChIInChI=1S/C20H19ClN2O3/c1-3-13-9-11-14(12-10-13)23-19(24)17(21)18(20(23)25)22-15-7-5-6-8-16(15)26-4-2/h5-12,22H,3-4H2,1-2H3
InChIKeyPRCFIGCXGKSNQI-UHFFFAOYSA-N
XLogP4.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.08
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-(4-chlorophenyl)-4-(2-ethoxyanilino)-1-phenylpyrrole-2,5-dione
CID 110599881
1-(4-chlorophenyl)-3-(2-ethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598314
3-(2-ethoxyanilino)-1,4-diphenylpyrrole-2,5-dione
CID 110595505
1-(4-chlorophenyl)-3-(2-ethoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591818
3-(2-ethoxyanilino)-4-(4-ethoxyphenyl)-1-(4-fluorophenyl)pyrrole-2,5-dione
CID 110588143
3-(2-ethoxyanilino)-4-phenyl-1-(4-pyrrolidin-1-ylphenyl)pyrrole-2,5-dione
CID 110594070
(3S)-3-(2-ethoxyanilino)-1-(4-ethylphenyl)pyrrolidine-2,5-dione
CID 51860069
1-(4-tert-butylphenyl)-3-(2-ethoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591876
3-chloro-4-(4-ethylanilino)-1-(3-methylphenyl)pyrrole-2,5-dione
CID 719758
3-(2-ethoxyanilino)-1-(4-pyrrolidin-1-ylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110590395
3-(3-chloro-2-methylanilino)-4-(4-chlorophenyl)-1-(4-ethylphenyl)pyrrole-2,5-dione
CID 110599799
2-[4-[[4-chloro-1-(4-ethoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-N-(1-phenylethyl)acetamide
CID 4614673

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-ethoxyanilino)-1-(4-ethylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-4-(2-ethoxyanilino)-1-(4-ethylphenyl)pyrrole-2,5-dione (CID 1186141) is 3-chloro-4-(2-ethoxyanilino)-1-(4-ethylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-4-(2-ethoxyanilino)-1-(4-ethylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-4-(2-ethoxyanilino)-1-(4-ethylphenyl)pyrrole-2,5-dione is CCOc1ccccc1NC1=C(Cl)C(=O)N(c2ccc(CC)cc2)C1=O.
What is the InChIKey of 3-chloro-4-(2-ethoxyanilino)-1-(4-ethylphenyl)pyrrole-2,5-dione?
The InChIKey is PRCFIGCXGKSNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-3-13-9-11-14(12-10-13)23-19(24)17(21)18(20(23)25)22-15-7-5-6-8-16(15)26-4-2/h5-12,22H,3-4H2,1-2H3.
What are the key properties of 3-chloro-4-(2-ethoxyanilino)-1-(4-ethylphenyl)pyrrole-2,5-dione?
3-chloro-4-(2-ethoxyanilino)-1-(4-ethylphenyl)pyrrole-2,5-dione has a molecular weight of 370.84 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-ethoxyanilino)-1-(4-ethylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 1186141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).