3-(3,5-difluoro-4-hydroxyanilino)-1-[4-(difluoromethoxy)phenyl]pyrrole-2,5-dione

C17H10F4N2O4 — CID 163369605

IUPAC3-(3,5-difluoro-4-hydroxyanilino)-1-[4-(difluoromethoxy)phenyl]pyrrole-2,5-dione
SMILESO=C1C=C(Nc2cc(F)c(O)c(F)c2)C(=O)N1c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H10F4N2O4/c18-11-5-8(6-12(19)15(11)25)22-13-7-14(24)23(16(13)26)9-1-3-10(4-2-9)27-17(20)21/h1-7,17,22,25H
InChIKeyUJIBZFMULURYHG-UHFFFAOYSA-N
MW382.27 g/mol
LogP3.14
Rot. Bonds5

About 3-(3,5-difluoro-4-hydroxyanilino)-1-[4-(difluoromethoxy)phenyl]pyrrole-2,5-dione

3-(3,5-difluoro-4-hydroxyanilino)-1-[4-(difluoromethoxy)phenyl]pyrrole-2,5-dione (PubChem CID 163369605) has the molecular formula C17H10F4N2O4 and a molecular weight of 382.27 g/mol. Its IUPAC name is 3-(3,5-difluoro-4-hydroxyanilino)-1-[4-(difluoromethoxy)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3,5-difluoro-4-hydroxyanilino)-1-[4-(difluoromethoxy)phenyl]pyrrole-2,5-dione
PubChem CID163369605
Molecular FormulaC17H10F4N2O4
Molecular Weight382.27 g/mol
Exact Mass382.06
IUPAC Name3-(3,5-difluoro-4-hydroxyanilino)-1-[4-(difluoromethoxy)phenyl]pyrrole-2,5-dione
SMILESO=C1C=C(Nc2cc(F)c(O)c(F)c2)C(=O)N1c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H10F4N2O4/c18-11-5-8(6-12(19)15(11)25)22-13-7-14(24)23(16(13)26)9-1-3-10(4-2-9)27-17(20)21/h1-7,17,22,25H
InChIKeyUJIBZFMULURYHG-UHFFFAOYSA-N
XLogP3.14
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.27
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-difluoro-4-hydroxyphenyl)-3-(4-methylanilino)pyrrole-2,5-dione
CID 165032529
3-(3,5-difluoro-4-hydroxyanilino)-1-[(2,4-dimethylphenyl)methyl]pyrrole-2,5-dione
CID 163369643
3-[4-(difluoromethoxy)phenyl]imidazolidine-2,4-dione
CID 103935816
(1S,2R,6S,7R)-4-[4-(difluoromethoxy)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 51704517
N-[4-(difluoromethoxy)phenyl]-2-fluoro-5-methylaniline
CID 56636646
3-[4-(difluoromethoxy)phenyl]-5-[[4-(dimethylamino)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 3767852
(5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3-(4-methylphenyl)-2-sulfanylideneimidazolidin-4-one
CID 9341847
2-[4-(difluoromethoxy)phenyl]-1,2,4-triazine-3,5-dione
CID 134119934
1,3-bis[4-(difluoromethoxy)phenyl]urea
CID 11537485
(5Z)-5-[[4-(difluoromethoxy)phenyl]methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 6209258
3-[5-chloro-2-(difluoromethoxy)anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168560638
methyl 3-[2-[3-(3,5-difluoro-4-hydroxyanilino)-2-methylidene-5-oxopyrrol-1-yl]ethyl]benzoate
CID 167080897

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluoro-4-hydroxyanilino)-1-[4-(difluoromethoxy)phenyl]pyrrole-2,5-dione?
The IUPAC name of 3-(3,5-difluoro-4-hydroxyanilino)-1-[4-(difluoromethoxy)phenyl]pyrrole-2,5-dione (CID 163369605) is 3-(3,5-difluoro-4-hydroxyanilino)-1-[4-(difluoromethoxy)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(3,5-difluoro-4-hydroxyanilino)-1-[4-(difluoromethoxy)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 3-(3,5-difluoro-4-hydroxyanilino)-1-[4-(difluoromethoxy)phenyl]pyrrole-2,5-dione is O=C1C=C(Nc2cc(F)c(O)c(F)c2)C(=O)N1c1ccc(OC(F)F)cc1.
What is the InChIKey of 3-(3,5-difluoro-4-hydroxyanilino)-1-[4-(difluoromethoxy)phenyl]pyrrole-2,5-dione?
The InChIKey is UJIBZFMULURYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F4N2O4/c18-11-5-8(6-12(19)15(11)25)22-13-7-14(24)23(16(13)26)9-1-3-10(4-2-9)27-17(20)21/h1-7,17,22,25H.
What are the key properties of 3-(3,5-difluoro-4-hydroxyanilino)-1-[4-(difluoromethoxy)phenyl]pyrrole-2,5-dione?
3-(3,5-difluoro-4-hydroxyanilino)-1-[4-(difluoromethoxy)phenyl]pyrrole-2,5-dione has a molecular weight of 382.27 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluoro-4-hydroxyanilino)-1-[4-(difluoromethoxy)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 163369605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).