3-(4-chlorophenyl)-4-(N-ethylanilino)-1-[(2-methoxyphenyl)methyl]pyrrole-2,5-dione

C26H23ClN2O3 — CID 110569981

IUPAC3-(4-chlorophenyl)-4-(N-ethylanilino)-1-[(2-methoxyphenyl)methyl]pyrrole-2,5-dione
SMILESCCN(C1=C(c2ccc(Cl)cc2)C(=O)N(Cc2ccccc2OC)C1=O)c1ccccc1
InChIInChI=1S/C26H23ClN2O3/c1-3-28(21-10-5-4-6-11-21)24-23(18-13-15-20(27)16-14-18)25(30)29(26(24)31)17-19-9-7-8-12-22(19)32-2/h4-16H,3,17H2,1-2H3
InChIKeyYAOGCFZULBZFAT-UHFFFAOYSA-N
MW446.93 g/mol
LogP5.16
Rot. Bonds7

About 3-(4-chlorophenyl)-4-(N-ethylanilino)-1-[(2-methoxyphenyl)methyl]pyrrole-2,5-dione

3-(4-chlorophenyl)-4-(N-ethylanilino)-1-[(2-methoxyphenyl)methyl]pyrrole-2,5-dione (PubChem CID 110569981) has the molecular formula C26H23ClN2O3 and a molecular weight of 446.93 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(N-ethylanilino)-1-[(2-methoxyphenyl)methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(N-ethylanilino)-1-[(2-methoxyphenyl)methyl]pyrrole-2,5-dione
PubChem CID110569981
Molecular FormulaC26H23ClN2O3
Molecular Weight446.93 g/mol
Exact Mass446.14
IUPAC Name3-(4-chlorophenyl)-4-(N-ethylanilino)-1-[(2-methoxyphenyl)methyl]pyrrole-2,5-dione
SMILESCCN(C1=C(c2ccc(Cl)cc2)C(=O)N(Cc2ccccc2OC)C1=O)c1ccccc1
InChIInChI=1S/C26H23ClN2O3/c1-3-28(21-10-5-4-6-11-21)24-23(18-13-15-20(27)16-14-18)25(30)29(26(24)31)17-19-9-7-8-12-22(19)32-2/h4-16H,3,17H2,1-2H3
InChIKeyYAOGCFZULBZFAT-UHFFFAOYSA-N
XLogP5.16
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.93
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(N-ethylanilino)-1-[(2-fluorophenyl)methyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110566263
3-(4-fluorophenyl)-1-[(2-methoxyphenyl)methyl]-4-(N-methylanilino)pyrrole-2,5-dione
CID 110544142
3-(4-chlorophenyl)-4-(N-ethylanilino)-1-(furan-2-ylmethyl)pyrrole-2,5-dione
CID 110569377
1-[2-(4-chlorophenyl)ethyl]-3-(N-ethylanilino)-4-phenylpyrrole-2,5-dione
CID 110558762
3-(4-chlorophenyl)-4-(N-ethylanilino)-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
CID 110569924
3-(N-ethylanilino)-4-(4-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
CID 110556828
3-(N-ethylanilino)-4-(2-methoxyphenyl)-1-propylpyrrole-2,5-dione
CID 110565855
1-(2-chlorophenyl)-3-(4-chlorophenyl)-4-(N-ethylanilino)pyrrole-2,5-dione
CID 110571477
3-(3,4-dimethoxyphenyl)-4-(N-ethylanilino)-1-(2-phenylethyl)pyrrole-2,5-dione
CID 110563850
3-(3,4-dimethoxyphenyl)-4-(N-ethylanilino)-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione
CID 110563965
3-(3,4-dimethoxyphenyl)-4-(N-ethylanilino)-1-hexylpyrrole-2,5-dione
CID 110564488
3-(N-ethylanilino)-1-(3-methoxypropyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572740

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-(N-ethylanilino)-1-[(2-methoxyphenyl)methyl]pyrrole-2,5-dione?
The IUPAC name of 3-(4-chlorophenyl)-4-(N-ethylanilino)-1-[(2-methoxyphenyl)methyl]pyrrole-2,5-dione (CID 110569981) is 3-(4-chlorophenyl)-4-(N-ethylanilino)-1-[(2-methoxyphenyl)methyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(N-ethylanilino)-1-[(2-methoxyphenyl)methyl]pyrrole-2,5-dione?
The canonical SMILES for 3-(4-chlorophenyl)-4-(N-ethylanilino)-1-[(2-methoxyphenyl)methyl]pyrrole-2,5-dione is CCN(C1=C(c2ccc(Cl)cc2)C(=O)N(Cc2ccccc2OC)C1=O)c1ccccc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-(N-ethylanilino)-1-[(2-methoxyphenyl)methyl]pyrrole-2,5-dione?
The InChIKey is YAOGCFZULBZFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2O3/c1-3-28(21-10-5-4-6-11-21)24-23(18-13-15-20(27)16-14-18)25(30)29(26(24)31)17-19-9-7-8-12-22(19)32-2/h4-16H,3,17H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-4-(N-ethylanilino)-1-[(2-methoxyphenyl)methyl]pyrrole-2,5-dione?
3-(4-chlorophenyl)-4-(N-ethylanilino)-1-[(2-methoxyphenyl)methyl]pyrrole-2,5-dione has a molecular weight of 446.93 g/mol, XLogP of 5.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-(N-ethylanilino)-1-[(2-methoxyphenyl)methyl]pyrrole-2,5-dione is sourced from PubChem (CID 110569981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).