3-[4-(difluoromethoxy)anilino]-4-phenylpyrrole-2,5-dione

C17H12F2N2O3 — CID 71416744

IUPAC3-[4-(difluoromethoxy)anilino]-4-phenylpyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2ccccc2)=C1Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H12F2N2O3/c18-17(19)24-12-8-6-11(7-9-12)20-14-13(15(22)21-16(14)23)10-4-2-1-3-5-10/h1-9,17H,(H2,20,21,22,23)
InChIKeyMHOJETWZYBHPBI-UHFFFAOYSA-N
MW330.29 g/mol
LogP2.77
Rot. Bonds5

About 3-[4-(difluoromethoxy)anilino]-4-phenylpyrrole-2,5-dione

3-[4-(difluoromethoxy)anilino]-4-phenylpyrrole-2,5-dione (PubChem CID 71416744) has the molecular formula C17H12F2N2O3 and a molecular weight of 330.29 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)anilino]-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)anilino]-4-phenylpyrrole-2,5-dione
PubChem CID71416744
Molecular FormulaC17H12F2N2O3
Molecular Weight330.29 g/mol
Exact Mass330.08
IUPAC Name3-[4-(difluoromethoxy)anilino]-4-phenylpyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2ccccc2)=C1Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H12F2N2O3/c18-17(19)24-12-8-6-11(7-9-12)20-14-13(15(22)21-16(14)23)10-4-2-1-3-5-10/h1-9,17H,(H2,20,21,22,23)
InChIKeyMHOJETWZYBHPBI-UHFFFAOYSA-N
XLogP2.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[4-(difluoromethoxy)anilino]-4-phenylpyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)anilino]-4-phenylpyrrole-2,5-dione?
The IUPAC name of 3-[4-(difluoromethoxy)anilino]-4-phenylpyrrole-2,5-dione (CID 71416744) is 3-[4-(difluoromethoxy)anilino]-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-[4-(difluoromethoxy)anilino]-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-[4-(difluoromethoxy)anilino]-4-phenylpyrrole-2,5-dione is O=C1NC(=O)C(c2ccccc2)=C1Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 3-[4-(difluoromethoxy)anilino]-4-phenylpyrrole-2,5-dione?
The InChIKey is MHOJETWZYBHPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O3/c18-17(19)24-12-8-6-11(7-9-12)20-14-13(15(22)21-16(14)23)10-4-2-1-3-5-10/h1-9,17H,(H2,20,21,22,23).
What are the key properties of 3-[4-(difluoromethoxy)anilino]-4-phenylpyrrole-2,5-dione?
3-[4-(difluoromethoxy)anilino]-4-phenylpyrrole-2,5-dione has a molecular weight of 330.29 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)anilino]-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 71416744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).