3-(3,5-dichloro-4-hydroxyanilino)-4-phenylpyrrole-2,5-dione

C16H10Cl2N2O3 — CID 6539481

IUPAC3-(3,5-dichloro-4-hydroxyanilino)-4-phenylpyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2ccccc2)=C1Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C16H10Cl2N2O3/c17-10-6-9(7-11(18)14(10)21)19-13-12(15(22)20-16(13)23)8-4-2-1-3-5-8/h1-7,21H,(H2,19,20,22,23)
InChIKeyRZMARTVDMQPCDI-UHFFFAOYSA-N
MW349.17 g/mol
LogP3.18
Rot. Bonds3

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

3-(3,5-dichloro-4-hydroxyanilino)-4-phenylpyrrole-2,5-dione (PubChem CID 6539481) has the molecular formula C16H10Cl2N2O3 and a molecular weight of 349.17 g/mol. Its IUPAC name is 3-(3,5-dichloro-4-hydroxyanilino)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3,5-dichloro-4-hydroxyanilino)-4-phenylpyrrole-2,5-dione
PubChem CID6539481
Molecular FormulaC16H10Cl2N2O3
Molecular Weight349.17 g/mol
Exact Mass348.01
IUPAC Name3-(3,5-dichloro-4-hydroxyanilino)-4-phenylpyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2ccccc2)=C1Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C16H10Cl2N2O3/c17-10-6-9(7-11(18)14(10)21)19-13-12(15(22)20-16(13)23)8-4-2-1-3-5-8/h1-7,21H,(H2,19,20,22,23)
InChIKeyRZMARTVDMQPCDI-UHFFFAOYSA-N
XLogP3.18
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 53.18
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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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloro-4-hydroxyanilino)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 3-(3,5-dichloro-4-hydroxyanilino)-4-phenylpyrrole-2,5-dione (CID 6539481) is 3-(3,5-dichloro-4-hydroxyanilino)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-(3,5-dichloro-4-hydroxyanilino)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-(3,5-dichloro-4-hydroxyanilino)-4-phenylpyrrole-2,5-dione is O=C1NC(=O)C(c2ccccc2)=C1Nc1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of 3-(3,5-dichloro-4-hydroxyanilino)-4-phenylpyrrole-2,5-dione?
The InChIKey is RZMARTVDMQPCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O3/c17-10-6-9(7-11(18)14(10)21)19-13-12(15(22)20-16(13)23)8-4-2-1-3-5-8/h1-7,21H,(H2,19,20,22,23).
What are the key properties of 3-(3,5-dichloro-4-hydroxyanilino)-4-phenylpyrrole-2,5-dione?
3-(3,5-dichloro-4-hydroxyanilino)-4-phenylpyrrole-2,5-dione has a molecular weight of 349.17 g/mol, XLogP of 3.18, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloro-4-hydroxyanilino)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 6539481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).