3-(3-chlorophenyl)-4-(3,5-dichloro-4-hydroxyanilino)pyrrole-2,5-dione

C16H9Cl3N2O3 — CID 6539485

IUPAC3-(3-chlorophenyl)-4-(3,5-dichloro-4-hydroxyanilino)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cccc(Cl)c2)=C1Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C16H9Cl3N2O3/c17-8-3-1-2-7(4-8)12-13(16(24)21-15(12)23)20-9-5-10(18)14(22)11(19)6-9/h1-6,22H,(H2,20,21,23,24)
InChIKeyWHASIRNOCBFBSL-UHFFFAOYSA-N
MW383.62 g/mol
LogP3.83
Rot. Bonds3

About 3-(3-chlorophenyl)-4-(3,5-dichloro-4-hydroxyanilino)pyrrole-2,5-dione

3-(3-chlorophenyl)-4-(3,5-dichloro-4-hydroxyanilino)pyrrole-2,5-dione (PubChem CID 6539485) has the molecular formula C16H9Cl3N2O3 and a molecular weight of 383.62 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-4-(3,5-dichloro-4-hydroxyanilino)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3-chlorophenyl)-4-(3,5-dichloro-4-hydroxyanilino)pyrrole-2,5-dione
PubChem CID6539485
Molecular FormulaC16H9Cl3N2O3
Molecular Weight383.62 g/mol
Exact Mass381.97
IUPAC Name3-(3-chlorophenyl)-4-(3,5-dichloro-4-hydroxyanilino)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cccc(Cl)c2)=C1Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C16H9Cl3N2O3/c17-8-3-1-2-7(4-8)12-13(16(24)21-15(12)23)20-9-5-10(18)14(22)11(19)6-9/h1-6,22H,(H2,20,21,23,24)
InChIKeyWHASIRNOCBFBSL-UHFFFAOYSA-N
XLogP3.83
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.62
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

SB 415286
CID 4210951
3-[(3-Chloro-4-Hydroxyphenyl)amino]-4-(3-Chlorophenyl)-1h-Pyrrole-2,5-Dione
CID 6539478
3-(2-chlorophenyl)-4-[(3-hydroxyphenyl)amino]-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539466
3-(4-chlorophenyl)-4-[(3-hydroxyphenyl)amino]-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539472
3-(4-chlorophenyl)-4-[(4-hydroxyphenyl)amino]-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539475
3-[(3-chloro-4-hydroxyphenyl)amino]-4-(2-chlorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539476
3-[(3-chloro-4-hydroxyphenyl)amino]-4-(2-methoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539477
3-[(3-chloro-4-hydroxyphenyl)amino]-4-(3-nitrophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539479
3-[(3-chloro-4-hydroxyphenyl)amino]-4-(4-chlorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539480
3-[(3,5-dichloro-4-hydroxyphenyl)amino]-4-phenyl-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539481
3-(2-chlorophenyl)-4-[(3,5-dichloro-4-hydroxyphenyl)amino]-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539482
3-[(3,5-dichloro-4-hydroxyphenyl)amino]-4-(2-methoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539483

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-4-(3,5-dichloro-4-hydroxyanilino)pyrrole-2,5-dione?
The IUPAC name of 3-(3-chlorophenyl)-4-(3,5-dichloro-4-hydroxyanilino)pyrrole-2,5-dione (CID 6539485) is 3-(3-chlorophenyl)-4-(3,5-dichloro-4-hydroxyanilino)pyrrole-2,5-dione.
What is the SMILES notation for 3-(3-chlorophenyl)-4-(3,5-dichloro-4-hydroxyanilino)pyrrole-2,5-dione?
The canonical SMILES for 3-(3-chlorophenyl)-4-(3,5-dichloro-4-hydroxyanilino)pyrrole-2,5-dione is O=C1NC(=O)C(c2cccc(Cl)c2)=C1Nc1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-4-(3,5-dichloro-4-hydroxyanilino)pyrrole-2,5-dione?
The InChIKey is WHASIRNOCBFBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl3N2O3/c17-8-3-1-2-7(4-8)12-13(16(24)21-15(12)23)20-9-5-10(18)14(22)11(19)6-9/h1-6,22H,(H2,20,21,23,24).
What are the key properties of 3-(3-chlorophenyl)-4-(3,5-dichloro-4-hydroxyanilino)pyrrole-2,5-dione?
3-(3-chlorophenyl)-4-(3,5-dichloro-4-hydroxyanilino)pyrrole-2,5-dione has a molecular weight of 383.62 g/mol, XLogP of 3.83, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-4-(3,5-dichloro-4-hydroxyanilino)pyrrole-2,5-dione is sourced from PubChem (CID 6539485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).