1-[2-(4-chlorophenyl)ethyl]-3-(N-ethylanilino)-4-phenylpyrrole-2,5-dione

C26H23ClN2O2 — CID 110558762

IUPAC1-[2-(4-chlorophenyl)ethyl]-3-(N-ethylanilino)-4-phenylpyrrole-2,5-dione
SMILESCCN(C1=C(c2ccccc2)C(=O)N(CCc2ccc(Cl)cc2)C1=O)c1ccccc1
InChIInChI=1S/C26H23ClN2O2/c1-2-28(22-11-7-4-8-12-22)24-23(20-9-5-3-6-10-20)25(30)29(26(24)31)18-17-19-13-15-21(27)16-14-19/h3-16H,2,17-18H2,1H3
InChIKeyZBZAUEXMOMINGG-UHFFFAOYSA-N
MW430.94 g/mol
LogP5.19
Rot. Bonds7

About 1-[2-(4-chlorophenyl)ethyl]-3-(N-ethylanilino)-4-phenylpyrrole-2,5-dione

1-[2-(4-chlorophenyl)ethyl]-3-(N-ethylanilino)-4-phenylpyrrole-2,5-dione (PubChem CID 110558762) has the molecular formula C26H23ClN2O2 and a molecular weight of 430.94 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-3-(N-ethylanilino)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-3-(N-ethylanilino)-4-phenylpyrrole-2,5-dione
PubChem CID110558762
Molecular FormulaC26H23ClN2O2
Molecular Weight430.94 g/mol
Exact Mass430.14
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-3-(N-ethylanilino)-4-phenylpyrrole-2,5-dione
SMILESCCN(C1=C(c2ccccc2)C(=O)N(CCc2ccc(Cl)cc2)C1=O)c1ccccc1
InChIInChI=1S/C26H23ClN2O2/c1-2-28(22-11-7-4-8-12-22)24-23(20-9-5-3-6-10-20)25(30)29(26(24)31)18-17-19-13-15-21(27)16-14-19/h3-16H,2,17-18H2,1H3
InChIKeyZBZAUEXMOMINGG-UHFFFAOYSA-N
XLogP5.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.94
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(N-ethylanilino)-1-(2-phenylethyl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110574909
3-(4-ethoxyphenyl)-4-(N-ethylanilino)-1-[2-(4-fluorophenyl)ethyl]pyrrole-2,5-dione
CID 110546190
3-(4-chlorophenyl)-4-(N-ethylanilino)-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
CID 110569924
3-(3,4-dimethoxyphenyl)-4-(N-ethylanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110563850
3-(N-ethylanilino)-1-(2-phenylethyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552386
3-(4-chlorophenyl)-4-(N-ethylanilino)-1-(furan-2-ylmethyl)pyrrole-2,5-dione
CID 110569377
3-(N-ethylanilino)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione
CID 110560065
3-(4-chlorophenyl)-4-(N-ethylanilino)-1-[(2-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 110569981
3-(4-chlorophenyl)-4-[methyl-(1-methylpiperidin-4-yl)amino]-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110569191
1-[2-(4-methoxyphenyl)ethyl]-3-(N-methylanilino)-4-phenylpyrrole-2,5-dione
CID 110558864
1-(2-chlorophenyl)-3-(4-chlorophenyl)-4-(N-ethylanilino)pyrrole-2,5-dione
CID 110571477
1-[(4-chlorophenyl)methyl]-3-(2,4-dimethylphenyl)-4-(N-ethylanilino)pyrrole-2,5-dione
CID 110578118

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-(N-ethylanilino)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-(N-ethylanilino)-4-phenylpyrrole-2,5-dione (CID 110558762) is 1-[2-(4-chlorophenyl)ethyl]-3-(N-ethylanilino)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-3-(N-ethylanilino)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-3-(N-ethylanilino)-4-phenylpyrrole-2,5-dione is CCN(C1=C(c2ccccc2)C(=O)N(CCc2ccc(Cl)cc2)C1=O)c1ccccc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-3-(N-ethylanilino)-4-phenylpyrrole-2,5-dione?
The InChIKey is ZBZAUEXMOMINGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2O2/c1-2-28(22-11-7-4-8-12-22)24-23(20-9-5-3-6-10-20)25(30)29(26(24)31)18-17-19-13-15-21(27)16-14-19/h3-16H,2,17-18H2,1H3.
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-3-(N-ethylanilino)-4-phenylpyrrole-2,5-dione?
1-[2-(4-chlorophenyl)ethyl]-3-(N-ethylanilino)-4-phenylpyrrole-2,5-dione has a molecular weight of 430.94 g/mol, XLogP of 5.19, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-3-(N-ethylanilino)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110558762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).