3-(2-ethoxyanilino)-1,4-diphenylpyrrole-2,5-dione

C24H20N2O3 — CID 110595505

IUPAC3-(2-ethoxyanilino)-1,4-diphenylpyrrole-2,5-dione
SMILESCCOc1ccccc1NC1=C(c2ccccc2)C(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C24H20N2O3/c1-2-29-20-16-10-9-15-19(20)25-22-21(17-11-5-3-6-12-17)23(27)26(24(22)28)18-13-7-4-8-14-18/h3-16,25H,2H2,1H3
InChIKeyKRHFBZYKXXHVEZ-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.48
Rot. Bonds6

About 3-(2-ethoxyanilino)-1,4-diphenylpyrrole-2,5-dione

3-(2-ethoxyanilino)-1,4-diphenylpyrrole-2,5-dione (PubChem CID 110595505) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 3-(2-ethoxyanilino)-1,4-diphenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2-ethoxyanilino)-1,4-diphenylpyrrole-2,5-dione
PubChem CID110595505
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name3-(2-ethoxyanilino)-1,4-diphenylpyrrole-2,5-dione
SMILESCCOc1ccccc1NC1=C(c2ccccc2)C(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C24H20N2O3/c1-2-29-20-16-10-9-15-19(20)25-22-21(17-11-5-3-6-12-17)23(27)26(24(22)28)18-13-7-4-8-14-18/h3-16,25H,2H2,1H3
InChIKeyKRHFBZYKXXHVEZ-UHFFFAOYSA-N
XLogP4.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.48
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
3-(2-ethoxyanilino)-4-phenyl-1-(4-pyrrolidin-1-ylphenyl)pyrrole-2,5-dione
CID 110594070
3-(2-ethoxyanilino)-1-(2-methoxyphenyl)-4-phenylpyrrole-2,5-dione
CID 110595834
3-(2-ethoxyanilino)-4-(4-ethoxyphenyl)-1-(4-fluorophenyl)pyrrole-2,5-dione
CID 110588143
3-(2-ethoxyanilino)-1-ethyl-4-phenylpyrrole-2,5-dione
CID 110594520
1-(2,3-dimethylphenyl)-3-(2-ethoxyanilino)-4-phenylpyrrole-2,5-dione
CID 110595443
1-(3,5-dimethylphenyl)-3-(2-ethoxyanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110586684
1-(2,5-dimethylphenyl)-3-(2-ethoxyanilino)-4-phenylpyrrole-2,5-dione
CID 110595415
N-[4-[4-(2-ethoxyanilino)-1-(3-methylphenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110596741
3-(2-ethoxyanilino)-1-(2-methoxyphenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593653
1-(3,4-difluorophenyl)-3-(2-ethoxyanilino)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110593825
1-(4-chlorophenyl)-3-(2-ethoxyanilino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110598314

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyanilino)-1,4-diphenylpyrrole-2,5-dione?
The IUPAC name of 3-(2-ethoxyanilino)-1,4-diphenylpyrrole-2,5-dione (CID 110595505) is 3-(2-ethoxyanilino)-1,4-diphenylpyrrole-2,5-dione.
What is the SMILES notation for 3-(2-ethoxyanilino)-1,4-diphenylpyrrole-2,5-dione?
The canonical SMILES for 3-(2-ethoxyanilino)-1,4-diphenylpyrrole-2,5-dione is CCOc1ccccc1NC1=C(c2ccccc2)C(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 3-(2-ethoxyanilino)-1,4-diphenylpyrrole-2,5-dione?
The InChIKey is KRHFBZYKXXHVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-2-29-20-16-10-9-15-19(20)25-22-21(17-11-5-3-6-12-17)23(27)26(24(22)28)18-13-7-4-8-14-18/h3-16,25H,2H2,1H3.
What are the key properties of 3-(2-ethoxyanilino)-1,4-diphenylpyrrole-2,5-dione?
3-(2-ethoxyanilino)-1,4-diphenylpyrrole-2,5-dione has a molecular weight of 384.44 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyanilino)-1,4-diphenylpyrrole-2,5-dione is sourced from PubChem (CID 110595505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).