2,5-dichloro-N-(3,5-dibromo-4-hydroxyphenyl)benzamide

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as n-phenylbenzamides. These are benzamides that are N-linked to a phenyl group via the carboxamide group.

N-phenylbenzamides

Organic compounds

Benzenoids

Benzene and substituted derivatives

Benzamides

Calculated Property

kind Value Source
logP 5.96 ALOGPS
logS -5.7 ALOGPS
Water Solubility 9.62e-04 g/l ALOGPS
logP 5.51 ChemAxon
IUPAC Name 2,5-dichloro-N-(3,5-dibromo-4-hydroxyphenyl)benzamide ChemAxon
Traditional IUPAC Name 2,5-dichloro-N-(3,5-dibromo-4-hydroxyphenyl)benzamide ChemAxon
Molecular Weight 439.914 ChemAxon
Monoisotopic Weight 436.822059181 ChemAxon
SMILES OC1=C(Br)C=C(NC(=O)C2=CC(Cl)=CC=C2Cl)C=C1Br ChemAxon
Molecular Formula C13H7Br2Cl2NO2 ChemAxon
InChI InChI=1S/C13H7Br2Cl2NO2/c14-9-4-7(5-10(15)12(9)19)18-13(20)8-3-6(16)1-2-11(8)17/h1-5,19H,(H,18,20) ChemAxon
InChIKey InChIKey=IFLWCZRMFPKYBN-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 49.33 ChemAxon
Refractivity 88.43 ChemAxon
Polarizability 32.6 ChemAxon
Rotatable Bond Count 2 ChemAxon
H Bond Acceptor Count 2 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 6.72 ChemAxon
pKa (strongest basic) -4.3 ChemAxon
Physiological Charge -1 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 0 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon