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

C16H11Br2NO2 — CID 56642404

IUPAC3-(4-bromoanilino)-4-(4-bromophenyl)-2H-furan-5-one
SMILESO=C1OCC(Nc2ccc(Br)cc2)=C1c1ccc(Br)cc1
InChIInChI=1S/C16H11Br2NO2/c17-11-3-1-10(2-4-11)15-14(9-21-16(15)20)19-13-7-5-12(18)6-8-13/h1-8,19H,9H2
InChIKeyASGCVSHPRBZZCF-UHFFFAOYSA-N
MW409.08 g/mol
LogP4.59
Rot. Bonds3

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

3-(4-bromoanilino)-4-(4-bromophenyl)-2H-furan-5-one (PubChem CID 56642404) has the molecular formula C16H11Br2NO2 and a molecular weight of 409.08 g/mol. Its IUPAC name is 3-(4-bromoanilino)-4-(4-bromophenyl)-2H-furan-5-one.

Molecular Properties

Compound Name3-(4-bromoanilino)-4-(4-bromophenyl)-2H-furan-5-one
PubChem CID56642404
Molecular FormulaC16H11Br2NO2
Molecular Weight409.08 g/mol
Exact Mass406.92
IUPAC Name3-(4-bromoanilino)-4-(4-bromophenyl)-2H-furan-5-one
SMILESO=C1OCC(Nc2ccc(Br)cc2)=C1c1ccc(Br)cc1
InChIInChI=1S/C16H11Br2NO2/c17-11-3-1-10(2-4-11)15-14(9-21-16(15)20)19-13-7-5-12(18)6-8-13/h1-8,19H,9H2
InChIKeyASGCVSHPRBZZCF-UHFFFAOYSA-N
XLogP4.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.08
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-bromoanilino)-4-(4-bromophenyl)-2H-furan-5-one 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-bromoanilino)-4-(4-bromophenyl)-2H-furan-5-one?
The IUPAC name of 3-(4-bromoanilino)-4-(4-bromophenyl)-2H-furan-5-one (CID 56642404) is 3-(4-bromoanilino)-4-(4-bromophenyl)-2H-furan-5-one.
What is the SMILES notation for 3-(4-bromoanilino)-4-(4-bromophenyl)-2H-furan-5-one?
The canonical SMILES for 3-(4-bromoanilino)-4-(4-bromophenyl)-2H-furan-5-one is O=C1OCC(Nc2ccc(Br)cc2)=C1c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromoanilino)-4-(4-bromophenyl)-2H-furan-5-one?
The InChIKey is ASGCVSHPRBZZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br2NO2/c17-11-3-1-10(2-4-11)15-14(9-21-16(15)20)19-13-7-5-12(18)6-8-13/h1-8,19H,9H2.
What are the key properties of 3-(4-bromoanilino)-4-(4-bromophenyl)-2H-furan-5-one?
3-(4-bromoanilino)-4-(4-bromophenyl)-2H-furan-5-one has a molecular weight of 409.08 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromoanilino)-4-(4-bromophenyl)-2H-furan-5-one is sourced from PubChem (CID 56642404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).