2-(benzylamino)-3,4-dichloro-2H-furan-5-one

C11H9Cl2NO2 — CID 11470888

IUPAC2-(benzylamino)-3,4-dichloro-2H-furan-5-one
SMILESO=C1OC(NCc2ccccc2)C(Cl)=C1Cl
InChIInChI=1S/C11H9Cl2NO2/c12-8-9(13)11(15)16-10(8)14-6-7-4-2-1-3-5-7/h1-5,10,14H,6H2
InChIKeyKKEHMLRDEBKKPF-UHFFFAOYSA-N
MW258.10 g/mol
LogP2.35
Rot. Bonds3

About 2-(benzylamino)-3,4-dichloro-2H-furan-5-one

2-(benzylamino)-3,4-dichloro-2H-furan-5-one (PubChem CID 11470888) has the molecular formula C11H9Cl2NO2 and a molecular weight of 258.10 g/mol. Its IUPAC name is 2-(benzylamino)-3,4-dichloro-2H-furan-5-one.

Molecular Properties

Compound Name2-(benzylamino)-3,4-dichloro-2H-furan-5-one
PubChem CID11470888
Molecular FormulaC11H9Cl2NO2
Molecular Weight258.10 g/mol
Exact Mass257.00
IUPAC Name2-(benzylamino)-3,4-dichloro-2H-furan-5-one
SMILESO=C1OC(NCc2ccccc2)C(Cl)=C1Cl
InChIInChI=1S/C11H9Cl2NO2/c12-8-9(13)11(15)16-10(8)14-6-7-4-2-1-3-5-7/h1-5,10,14H,6H2
InChIKeyKKEHMLRDEBKKPF-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.10
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(benzylamino)-3,4-dichloro-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 2-(benzylamino)-3,4-dichloro-2H-furan-5-one?
The IUPAC name of 2-(benzylamino)-3,4-dichloro-2H-furan-5-one (CID 11470888) is 2-(benzylamino)-3,4-dichloro-2H-furan-5-one.
What is the SMILES notation for 2-(benzylamino)-3,4-dichloro-2H-furan-5-one?
The canonical SMILES for 2-(benzylamino)-3,4-dichloro-2H-furan-5-one is O=C1OC(NCc2ccccc2)C(Cl)=C1Cl.
What is the InChIKey of 2-(benzylamino)-3,4-dichloro-2H-furan-5-one?
The InChIKey is KKEHMLRDEBKKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO2/c12-8-9(13)11(15)16-10(8)14-6-7-4-2-1-3-5-7/h1-5,10,14H,6H2.
What are the key properties of 2-(benzylamino)-3,4-dichloro-2H-furan-5-one?
2-(benzylamino)-3,4-dichloro-2H-furan-5-one has a molecular weight of 258.10 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-3,4-dichloro-2H-furan-5-one is sourced from PubChem (CID 11470888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).