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

C16H10Br3NO2 — CID 56642655

IUPAC4-(3-bromophenyl)-3-(3,5-dibromoanilino)-2H-furan-5-one
SMILESO=C1OCC(Nc2cc(Br)cc(Br)c2)=C1c1cccc(Br)c1
InChIInChI=1S/C16H10Br3NO2/c17-10-3-1-2-9(4-10)15-14(8-22-16(15)21)20-13-6-11(18)5-12(19)7-13/h1-7,20H,8H2
InChIKeyKXXOEFAPZNZUTC-UHFFFAOYSA-N
MW487.97 g/mol
LogP5.35
Rot. Bonds3

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

4-(3-bromophenyl)-3-(3,5-dibromoanilino)-2H-furan-5-one (PubChem CID 56642655) has the molecular formula C16H10Br3NO2 and a molecular weight of 487.97 g/mol. Its IUPAC name is 4-(3-bromophenyl)-3-(3,5-dibromoanilino)-2H-furan-5-one.

Molecular Properties

Compound Name4-(3-bromophenyl)-3-(3,5-dibromoanilino)-2H-furan-5-one
PubChem CID56642655
Molecular FormulaC16H10Br3NO2
Molecular Weight487.97 g/mol
Exact Mass484.83
IUPAC Name4-(3-bromophenyl)-3-(3,5-dibromoanilino)-2H-furan-5-one
SMILESO=C1OCC(Nc2cc(Br)cc(Br)c2)=C1c1cccc(Br)c1
InChIInChI=1S/C16H10Br3NO2/c17-10-3-1-2-9(4-10)15-14(8-22-16(15)21)20-13-6-11(18)5-12(19)7-13/h1-7,20H,8H2
InChIKeyKXXOEFAPZNZUTC-UHFFFAOYSA-N
XLogP5.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.97
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromophenyl)-3-(3,5-dichloroanilino)-2H-furan-5-one
CID 56589576
4-(4-bromophenyl)-3-(3,5-dichloroanilino)-2H-furan-5-one
CID 56642524
3-(3,5-dibromoanilino)-4-(4-fluorophenyl)-2H-furan-5-one
CID 56642274
4-(4-bromophenyl)-3-(3-chloroanilino)-2H-furan-5-one
CID 56642280
4-(4-bromophenyl)-3-(3,5-difluoroanilino)-2H-furan-5-one
CID 56642523
3-(4-bromoanilino)-4-(3-bromophenyl)-2H-furan-5-one
CID 56642654
4-(4-bromophenyl)-3-(4-nitroanilino)-2H-furan-5-one
CID 56642407
[2-(3-Bromoanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2407293
3-anilino-4-(4-bromophenyl)-2H-furan-5-one
CID 56642276
4-(4-bromophenyl)-3-(N-methylanilino)-2H-furan-5-one
CID 56642278
4-(4-bromophenyl)-3-(2-chloroanilino)-2H-furan-5-one
CID 56642279
4-(4-bromophenyl)-3-(4-chloroanilino)-2H-furan-5-one
CID 56642403

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-3-(3,5-dibromoanilino)-2H-furan-5-one?
The IUPAC name of 4-(3-bromophenyl)-3-(3,5-dibromoanilino)-2H-furan-5-one (CID 56642655) is 4-(3-bromophenyl)-3-(3,5-dibromoanilino)-2H-furan-5-one.
What is the SMILES notation for 4-(3-bromophenyl)-3-(3,5-dibromoanilino)-2H-furan-5-one?
The canonical SMILES for 4-(3-bromophenyl)-3-(3,5-dibromoanilino)-2H-furan-5-one is O=C1OCC(Nc2cc(Br)cc(Br)c2)=C1c1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)-3-(3,5-dibromoanilino)-2H-furan-5-one?
The InChIKey is KXXOEFAPZNZUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Br3NO2/c17-10-3-1-2-9(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-(3-bromophenyl)-3-(3,5-dibromoanilino)-2H-furan-5-one?
4-(3-bromophenyl)-3-(3,5-dibromoanilino)-2H-furan-5-one has a molecular weight of 487.97 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-3-(3,5-dibromoanilino)-2H-furan-5-one is sourced from PubChem (CID 56642655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).