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

C19H17ClN2O2 — CID 719758

IUPAC3-chloro-4-(4-ethylanilino)-1-(3-methylphenyl)pyrrole-2,5-dione
SMILESCCc1ccc(NC2=C(Cl)C(=O)N(c3cccc(C)c3)C2=O)cc1
InChIInChI=1S/C19H17ClN2O2/c1-3-13-7-9-14(10-8-13)21-17-16(20)18(23)22(19(17)24)15-6-4-5-12(2)11-15/h4-11,21H,3H2,1-2H3
InChIKeyAANSTWYPUPAALT-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.99
Rot. Bonds4

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

3-chloro-4-(4-ethylanilino)-1-(3-methylphenyl)pyrrole-2,5-dione (PubChem CID 719758) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 3-chloro-4-(4-ethylanilino)-1-(3-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-4-(4-ethylanilino)-1-(3-methylphenyl)pyrrole-2,5-dione
PubChem CID719758
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name3-chloro-4-(4-ethylanilino)-1-(3-methylphenyl)pyrrole-2,5-dione
SMILESCCc1ccc(NC2=C(Cl)C(=O)N(c3cccc(C)c3)C2=O)cc1
InChIInChI=1S/C19H17ClN2O2/c1-3-13-7-9-14(10-8-13)21-17-16(20)18(23)22(19(17)24)15-6-4-5-12(2)11-15/h4-11,21H,3H2,1-2H3
InChIKeyAANSTWYPUPAALT-UHFFFAOYSA-N
XLogP3.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dimethylphenyl)-4-(4-ethylanilino)-1-(3-methylphenyl)pyrrole-2,5-dione
CID 110589646
3-chloro-4-(2,5-dimethoxyanilino)-1-(3-methylphenyl)pyrrole-2,5-dione
CID 1184789
ethyl 2-[[2-[4-[[4-chloro-1-(3-methoxycarbonylphenyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]acetyl]amino]benzoate
CID 1408425
3-(4-ethylanilino)-1-(3-methoxyphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110592521
3-chloro-4-(3-methylanilino)-1-(4-nitrophenyl)pyrrole-2,5-dione
CID 101041433
2-[4-[[4-chloro-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]amino]phenyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 1408341
3-chloro-1-(2,4-dimethylphenyl)-4-(4-methylanilino)pyrrole-2,5-dione
CID 710569
3-chloro-4-(2-ethoxyanilino)-1-(4-ethylphenyl)pyrrole-2,5-dione
CID 1186141
1-(4-chlorophenyl)-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione
CID 110595536
4-[[4-chloro-1-(4-ethylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(6-chloropyridazin-3-yl)benzenesulfonamide
CID 6405623
3-chloro-4-(3-chloro-4-methylanilino)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 1033955
3-(4-ethylanilino)-1-(4-ethylphenyl)-4-phenylpyrrole-2,5-dione
CID 110595345

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(4-ethylanilino)-1-(3-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-chloro-4-(4-ethylanilino)-1-(3-methylphenyl)pyrrole-2,5-dione (CID 719758) is 3-chloro-4-(4-ethylanilino)-1-(3-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-4-(4-ethylanilino)-1-(3-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-4-(4-ethylanilino)-1-(3-methylphenyl)pyrrole-2,5-dione is CCc1ccc(NC2=C(Cl)C(=O)N(c3cccc(C)c3)C2=O)cc1.
What is the InChIKey of 3-chloro-4-(4-ethylanilino)-1-(3-methylphenyl)pyrrole-2,5-dione?
The InChIKey is AANSTWYPUPAALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-3-13-7-9-14(10-8-13)21-17-16(20)18(23)22(19(17)24)15-6-4-5-12(2)11-15/h4-11,21H,3H2,1-2H3.
What are the key properties of 3-chloro-4-(4-ethylanilino)-1-(3-methylphenyl)pyrrole-2,5-dione?
3-chloro-4-(4-ethylanilino)-1-(3-methylphenyl)pyrrole-2,5-dione has a molecular weight of 340.81 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(4-ethylanilino)-1-(3-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 719758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).