Chemical Properties of Benzamide, 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-

InChI

InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)

InChI Key

RJMUSRYZPJIFPJ-UHFFFAOYSA-N

Formula

C13H8Cl2N2O4

SMILES

O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O

Molecular Weight¹

327.12

Other Names

• 2',5-Dichlor-4'-nitro-salizylsaeureanilid
• 2',5-Dichloro-4'-Nitrosalicylanilide
• 2-Chloro-4-nitrophenylamide-6-chlorosalicylic acid
• 2-Hydroxy-5-chloro-N-(2-chloro-4-nitrophenyl)benzamide
• 5-Chloro-2'-chloro-4'-nitrosalicylanilide
• 5-Chloro-N-(2'-chloro-4'-nitrophenyl)salicylamide
• 5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide (niclosamide)
• 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide
• Atenase
• BAY 2353
• Bayer 2353
• Bayer 73
• Bayluscid
• Cestocid
• Cestocide
• Chemagro 2353
• Devermin
• Devermine
• Dichlosale
• ENT 25823
• Fedal-Telmin
• Fenasal
• HL 2447
• Helmiantin
• Iomesan
• Iomezan
• Lintex
• Mansonil
• Mato
• N-(2'-Chlor-4'-nitrophenyl)-5-chlorsalicylamid
• N-(2'-Chloro-4'-nitrophenyl)-5-chlorosalicylamide
• N-(2-Chloro-4-nitrophenyl)-5-chlorosalicylamide
• Nasemo
• Niclocide
• Phenasal
• Radeverm
• Ruby
• Sagimid
• Salicylanilide, 2',5-dichloro-4'-nitro-
• Sulqui
• Tredemine
• Vermitid
• Vermitin
• WR 46234
• Yomesan
• Zestocarp
• niclosamide

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-233.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	48.58	kJ/mol	Joback Calculated Property
ΔvapH°	124.01	kJ/mol	Relay (1.0) Calculated Property
IE	8.27	eV	Relay (1.0) Calculated Property
log10WS	[-4.70; -4.70]
log10WS	-4.70		Aq. Solubility Prediction
log10WS	-4.70		Estimated Solubility
logPoct/wat	3.859		Crippen Calculated Property
McVol	205.830	ml/mol	McGowan Calculated Property
Tboil	636.68	K	Relay (1.0) Calculated Property
Tfus	499.65	K	Aq. Solubility Prediction

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[550.33; 603.85]	J/mol×K	[976.50; 1251.59]
Cp,gas	550.33	J/mol×K	976.50	Joback Calculated Property
Cp,gas	559.25	J/mol×K	1022.35	Joback Calculated Property
Cp,gas	567.95	J/mol×K	1068.20	Joback Calculated Property
Cp,gas	576.59	J/mol×K	1114.04	Joback Calculated Property
Cp,gas	585.34	J/mol×K	1159.89	Joback Calculated Property
Cp,gas	594.37	J/mol×K	1205.74	Joback Calculated Property
Cp,gas	603.85	J/mol×K	1251.59	Joback Calculated Property
ΔfusH	[35.98; 40.70]	kJ/mol	[502.20; 505.40]
ΔfusH	35.98	kJ/mol	502.20	NIST
ΔfusH	40.70	kJ/mol	505.40	NIST

Similar Compounds

Find more compounds similar to Benzamide, 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Phase solubility studies of poorly soluble drug molecules by using O-phosphorylated calixarenes as drug solubilizing agents
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.