4-(4-bromophenyl)-3-(3,5-difluoroanilino)-2H-furan-5-one

C16H10BrF2NO2 — CID 56642523

IUPAC4-(4-bromophenyl)-3-(3,5-difluoroanilino)-2H-furan-5-one
SMILESO=C1OCC(Nc2cc(F)cc(F)c2)=C1c1ccc(Br)cc1
InChIInChI=1S/C16H10BrF2NO2/c17-10-3-1-9(2-4-10)15-14(8-22-16(15)21)20-13-6-11(18)5-12(19)7-13/h1-7,20H,8H2
InChIKeyZJBSCFBLLTWDHQ-UHFFFAOYSA-N
MW366.16 g/mol
LogP4.11
Rot. Bonds3

About 4-(4-bromophenyl)-3-(3,5-difluoroanilino)-2H-furan-5-one

4-(4-bromophenyl)-3-(3,5-difluoroanilino)-2H-furan-5-one (PubChem CID 56642523) has the molecular formula C16H10BrF2NO2 and a molecular weight of 366.16 g/mol. Its IUPAC name is 4-(4-bromophenyl)-3-(3,5-difluoroanilino)-2H-furan-5-one.

Molecular Properties

Compound Name4-(4-bromophenyl)-3-(3,5-difluoroanilino)-2H-furan-5-one
PubChem CID56642523
Molecular FormulaC16H10BrF2NO2
Molecular Weight366.16 g/mol
Exact Mass364.99
IUPAC Name4-(4-bromophenyl)-3-(3,5-difluoroanilino)-2H-furan-5-one
SMILESO=C1OCC(Nc2cc(F)cc(F)c2)=C1c1ccc(Br)cc1
InChIInChI=1S/C16H10BrF2NO2/c17-10-3-1-9(2-4-10)15-14(8-22-16(15)21)20-13-6-11(18)5-12(19)7-13/h1-7,20H,8H2
InChIKeyZJBSCFBLLTWDHQ-UHFFFAOYSA-N
XLogP4.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.16
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-3-(3,5-difluoroanilino)-2H-furan-5-one?
The IUPAC name of 4-(4-bromophenyl)-3-(3,5-difluoroanilino)-2H-furan-5-one (CID 56642523) is 4-(4-bromophenyl)-3-(3,5-difluoroanilino)-2H-furan-5-one.
What is the SMILES notation for 4-(4-bromophenyl)-3-(3,5-difluoroanilino)-2H-furan-5-one?
The canonical SMILES for 4-(4-bromophenyl)-3-(3,5-difluoroanilino)-2H-furan-5-one is O=C1OCC(Nc2cc(F)cc(F)c2)=C1c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-3-(3,5-difluoroanilino)-2H-furan-5-one?
The InChIKey is ZJBSCFBLLTWDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrF2NO2/c17-10-3-1-9(2-4-10)15-14(8-22-16(15)21)20-13-6-11(18)5-12(19)7-13/h1-7,20H,8H2.
What are the key properties of 4-(4-bromophenyl)-3-(3,5-difluoroanilino)-2H-furan-5-one?
4-(4-bromophenyl)-3-(3,5-difluoroanilino)-2H-furan-5-one has a molecular weight of 366.16 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-3-(3,5-difluoroanilino)-2H-furan-5-one is sourced from PubChem (CID 56642523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).