1-[(3,4-dichlorophenyl)methyl]-3,4-diphenylpyrrole-2,5-dione

C23H15Cl2NO2 — CID 141451883

IUPAC1-[(3,4-dichlorophenyl)methyl]-3,4-diphenylpyrrole-2,5-dione
SMILESO=C1C(c2ccccc2)=C(c2ccccc2)C(=O)N1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H15Cl2NO2/c24-18-12-11-15(13-19(18)25)14-26-22(27)20(16-7-3-1-4-8-16)21(23(26)28)17-9-5-2-6-10-17/h1-13H,14H2
InChIKeyDRFCDRQNOVKKHX-UHFFFAOYSA-N
MW408.28 g/mol
LogP5.47
Rot. Bonds4

About 1-[(3,4-dichlorophenyl)methyl]-3,4-diphenylpyrrole-2,5-dione

1-[(3,4-dichlorophenyl)methyl]-3,4-diphenylpyrrole-2,5-dione (PubChem CID 141451883) has the molecular formula C23H15Cl2NO2 and a molecular weight of 408.28 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-3,4-diphenylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-3,4-diphenylpyrrole-2,5-dione
PubChem CID141451883
Molecular FormulaC23H15Cl2NO2
Molecular Weight408.28 g/mol
Exact Mass407.05
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-3,4-diphenylpyrrole-2,5-dione
SMILESO=C1C(c2ccccc2)=C(c2ccccc2)C(=O)N1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H15Cl2NO2/c24-18-12-11-15(13-19(18)25)14-26-22(27)20(16-7-3-1-4-8-16)21(23(26)28)17-9-5-2-6-10-17/h1-13H,14H2
InChIKeyDRFCDRQNOVKKHX-UHFFFAOYSA-N
XLogP5.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.28
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3,4-bis(3-chloro-4-fluorophenyl)pyrrole-2,5-dione
CID 139593935
3-chloro-1-[(3,4-dimethoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110583454
3-chloro-1-[[4-(dimethylamino)phenyl]methyl]-4-phenylpyrrole-2,5-dione
CID 69148011
2-[(3,4-dichlorophenyl)methyl]-6-phenylpyridazin-3-one
CID 8698921
2-[(4-phenylphenyl)methyl]isoindole-1,3-dione
CID 7663732
4-[(3,4-dichlorophenyl)methyl]-1-oxo-1,4-thiazinane-3,5-dione
CID 1478967
2-[(3-chloro-4-nitrophenyl)methyl]isoindole-1,3-dione
CID 67300541
2-[(4-chloro-3-nitrophenyl)methyl]isoindole-1,3-dione
CID 18621850
3-(3-chloro-4-methoxyanilino)-1-[(4-chlorophenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110594252
(5S)-3-[(3,4-dichlorophenyl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 7242730
1-benzyl-3-(4-ethylanilino)-4-phenylpyrrole-2,5-dione
CID 110594470
3-chloro-4-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrrole-2,5-dione
CID 110584186

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-3,4-diphenylpyrrole-2,5-dione?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-3,4-diphenylpyrrole-2,5-dione (CID 141451883) is 1-[(3,4-dichlorophenyl)methyl]-3,4-diphenylpyrrole-2,5-dione.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-3,4-diphenylpyrrole-2,5-dione?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-3,4-diphenylpyrrole-2,5-dione is O=C1C(c2ccccc2)=C(c2ccccc2)C(=O)N1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-3,4-diphenylpyrrole-2,5-dione?
The InChIKey is DRFCDRQNOVKKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2NO2/c24-18-12-11-15(13-19(18)25)14-26-22(27)20(16-7-3-1-4-8-16)21(23(26)28)17-9-5-2-6-10-17/h1-13H,14H2.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-3,4-diphenylpyrrole-2,5-dione?
1-[(3,4-dichlorophenyl)methyl]-3,4-diphenylpyrrole-2,5-dione has a molecular weight of 408.28 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-3,4-diphenylpyrrole-2,5-dione is sourced from PubChem (CID 141451883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).