(1R)-1-PHENYLETHYL 4-(ACETYLAMINO)BENZYLPHOSPHONATE

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as acetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group.

Acetanilides

Organic compounds

Benzenoids

Benzene and substituted derivatives

Anilides

Calculated Property

kind Value Source
logP 2.51 ALOGPS
logS -3.8 ALOGPS
Water Solubility 5.69e-02 g/l ALOGPS
logP 2.56 ChemAxon
IUPAC Name (1R)-1-phenylethyl [(4-acetamidophenyl)methyl]phosphonate ChemAxon
Traditional IUPAC Name (1R)-1-phenylethyl (4-acetamidophenyl)methylphosphonate ChemAxon
Molecular Weight 332.3108 ChemAxon
Monoisotopic Weight 332.105169613 ChemAxon
SMILES [H][C@](C)(O[P@]([O-])(=O)CC1=CC=C(NC(C)=O)C=C1)C1=CC=CC=C1 ChemAxon
Molecular Formula C17H19NO4P ChemAxon
InChI InChI=1S/C17H20NO4P/c1-13(16-6-4-3-5-7-16)22-23(20,21)12-15-8-10-17(11-9-15)18-14(2)19/h3-11,13H,12H2,1-2H3,(H,18,19)(H,20,21)/p-1/t13-/m1/s1 ChemAxon
InChIKey InChIKey=YPTMOJMDCPUCJT-CYBMUJFWSA-M ChemAxon
Polar Surface Area (PSA) 78.46 ChemAxon
Refractivity 89.17 ChemAxon
Polarizability 33.51 ChemAxon
Rotatable Bond Count 6 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 1.89 ChemAxon
pKa (strongest basic) -4.4 ChemAxon
Physiological Charge -1 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Hepatitis B virus receptor binding protein : in Human