5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide

C13H8Cl2N2O4 — CID 4477

💊View drug profile → niclosamide
IUPAC5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O
InChIInChI=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)
InChIKeyRJMUSRYZPJIFPJ-UHFFFAOYSA-N
MW327.12 g/mol
LogP3.86
Rot. Bonds3

About 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide

5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide (PubChem CID 4477) has the molecular formula C13H8Cl2N2O4 and a molecular weight of 327.12 g/mol. Its IUPAC name is 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide
PubChem CID4477
Molecular FormulaC13H8Cl2N2O4
Molecular Weight327.12 g/mol
Exact Mass325.99
IUPAC Name5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O
InChIInChI=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)
InChIKeyRJMUSRYZPJIFPJ-UHFFFAOYSA-N
XLogP3.86
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.12
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Niclosamide ethanolamine salt
CID 14992
5-Chlorosalicylanilide
CID 14869
Benzamide, N-(4-chlorophenyl)-2-hydroxy-
CID 77253
4',5-Dichlorosalicylanilide
CID 24326
5-Chloro-2-hydroxy-N-(4-nitrophenyl)benzamide
CID 487721
2-Hydroxy-N-(2,4,5-trichlorophenyl)benzamide
CID 3440374
3',5-Dichlorosalicylanilide
CID 20196
3',4',5-Trichlorosalicylanilide
CID 69506
N-(3-chlorophenyl)-2-hydroxybenzamide
CID 478807
4'-Chloro-2-Hydroxy-5-nitrobenzanilide
CID 80981
Salicylanilide, 3'-chloro-5-nitro-
CID 81001
5-chloro-N-(2-chlorophenyl)-2-hydroxybenzamide
CID 245914

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide (CID 4477) is 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide is O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide?
The InChIKey is RJMUSRYZPJIFPJ-UHFFFAOYSA-N. The full InChI is 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).
What are the key properties of 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide?
5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide has a molecular weight of 327.12 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide is sourced from PubChem (CID 4477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).