3-(benzylamino)-4-(3-chlorophenyl)-2H-furan-5-one

C17H14ClNO2 — CID 53326384

IUPAC3-(benzylamino)-4-(3-chlorophenyl)-2H-furan-5-one
SMILESO=C1OCC(NCc2ccccc2)=C1c1cccc(Cl)c1
InChIInChI=1S/C17H14ClNO2/c18-14-8-4-7-13(9-14)16-15(11-21-17(16)20)19-10-12-5-2-1-3-6-12/h1-9,19H,10-11H2
InChIKeySJPFZVLNVHILHU-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.40
Rot. Bonds4

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

3-(benzylamino)-4-(3-chlorophenyl)-2H-furan-5-one (PubChem CID 53326384) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 3-(benzylamino)-4-(3-chlorophenyl)-2H-furan-5-one.

Molecular Properties

Compound Name3-(benzylamino)-4-(3-chlorophenyl)-2H-furan-5-one
PubChem CID53326384
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name3-(benzylamino)-4-(3-chlorophenyl)-2H-furan-5-one
SMILESO=C1OCC(NCc2ccccc2)=C1c1cccc(Cl)c1
InChIInChI=1S/C17H14ClNO2/c18-14-8-4-7-13(9-14)16-15(11-21-17(16)20)19-10-12-5-2-1-3-6-12/h1-9,19H,10-11H2
InChIKeySJPFZVLNVHILHU-UHFFFAOYSA-N
XLogP3.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-4-(3-chlorophenyl)-2H-furan-5-one?
The IUPAC name of 3-(benzylamino)-4-(3-chlorophenyl)-2H-furan-5-one (CID 53326384) is 3-(benzylamino)-4-(3-chlorophenyl)-2H-furan-5-one.
What is the SMILES notation for 3-(benzylamino)-4-(3-chlorophenyl)-2H-furan-5-one?
The canonical SMILES for 3-(benzylamino)-4-(3-chlorophenyl)-2H-furan-5-one is O=C1OCC(NCc2ccccc2)=C1c1cccc(Cl)c1.
What is the InChIKey of 3-(benzylamino)-4-(3-chlorophenyl)-2H-furan-5-one?
The InChIKey is SJPFZVLNVHILHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c18-14-8-4-7-13(9-14)16-15(11-21-17(16)20)19-10-12-5-2-1-3-6-12/h1-9,19H,10-11H2.
What are the key properties of 3-(benzylamino)-4-(3-chlorophenyl)-2H-furan-5-one?
3-(benzylamino)-4-(3-chlorophenyl)-2H-furan-5-one has a molecular weight of 299.76 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-4-(3-chlorophenyl)-2H-furan-5-one is sourced from PubChem (CID 53326384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).