3-anilino-4-(4-bromophenyl)-2H-furan-5-one

C16H12BrNO2 — CID 56642276

IUPAC3-anilino-4-(4-bromophenyl)-2H-furan-5-one
SMILESO=C1OCC(Nc2ccccc2)=C1c1ccc(Br)cc1
InChIInChI=1S/C16H12BrNO2/c17-12-8-6-11(7-9-12)15-14(10-20-16(15)19)18-13-4-2-1-3-5-13/h1-9,18H,10H2
InChIKeyJMIMWEZFNDGCCL-UHFFFAOYSA-N
MW330.18 g/mol
LogP3.83
Rot. Bonds3

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

3-anilino-4-(4-bromophenyl)-2H-furan-5-one (PubChem CID 56642276) has the molecular formula C16H12BrNO2 and a molecular weight of 330.18 g/mol. Its IUPAC name is 3-anilino-4-(4-bromophenyl)-2H-furan-5-one.

Molecular Properties

Compound Name3-anilino-4-(4-bromophenyl)-2H-furan-5-one
PubChem CID56642276
Molecular FormulaC16H12BrNO2
Molecular Weight330.18 g/mol
Exact Mass329.01
IUPAC Name3-anilino-4-(4-bromophenyl)-2H-furan-5-one
SMILESO=C1OCC(Nc2ccccc2)=C1c1ccc(Br)cc1
InChIInChI=1S/C16H12BrNO2/c17-12-8-6-11(7-9-12)15-14(10-20-16(15)19)18-13-4-2-1-3-5-13/h1-9,18H,10H2
InChIKeyJMIMWEZFNDGCCL-UHFFFAOYSA-N
XLogP3.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-anilino-4-(4-bromophenyl)-2H-furan-5-one?
The IUPAC name of 3-anilino-4-(4-bromophenyl)-2H-furan-5-one (CID 56642276) is 3-anilino-4-(4-bromophenyl)-2H-furan-5-one.
What is the SMILES notation for 3-anilino-4-(4-bromophenyl)-2H-furan-5-one?
The canonical SMILES for 3-anilino-4-(4-bromophenyl)-2H-furan-5-one is O=C1OCC(Nc2ccccc2)=C1c1ccc(Br)cc1.
What is the InChIKey of 3-anilino-4-(4-bromophenyl)-2H-furan-5-one?
The InChIKey is JMIMWEZFNDGCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO2/c17-12-8-6-11(7-9-12)15-14(10-20-16(15)19)18-13-4-2-1-3-5-13/h1-9,18H,10H2.
What are the key properties of 3-anilino-4-(4-bromophenyl)-2H-furan-5-one?
3-anilino-4-(4-bromophenyl)-2H-furan-5-one has a molecular weight of 330.18 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-4-(4-bromophenyl)-2H-furan-5-one is sourced from PubChem (CID 56642276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).