5-Chlorosalicylanilide

C13H10ClNO2 — CID 14869

IUPAC5-chloro-2-hydroxy-N-phenylbenzamide
SMILESC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)Cl)O
InChIInChI=1S/C13H10ClNO2/c14-9-6-7-12(16)11(8-9)13(17)15-10-4-2-1-3-5-10/h1-8,16H,(H,15,17)
InChIKeyKGYNGVVNFRUOOZ-UHFFFAOYSA-N
MW247.67 g/mol
LogP3.90
Rot. Bonds2

About 5-Chlorosalicylanilide

5-Chlorosalicylanilide (PubChem CID 14869) has the molecular formula C13H10ClNO2 and a molecular weight of 247.67 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-phenylbenzamide.

Molecular Properties

Compound Name5-Chlorosalicylanilide
PubChem CID14869
Molecular FormulaC13H10ClNO2
Molecular Weight247.67 g/mol
Exact Mass247.04
IUPAC Name5-chloro-2-hydroxy-N-phenylbenzamide
SMILESC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)Cl)O
InChIInChI=1S/C13H10ClNO2/c14-9-6-7-12(16)11(8-9)13(17)15-10-4-2-1-3-5-10/h1-8,16H,(H,15,17)
InChIKeyKGYNGVVNFRUOOZ-UHFFFAOYSA-N
XLogP3.90
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity266

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.67
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Niclosamide
CID 4477
3,3',4',5-Tetrachlorosalicylanilide
CID 14385
Niclosamide ethanolamine salt
CID 14992
Bromochlorosalicylanilide
CID 77254
Salicylanilide
CID 6872
Imd-0354
CID 5081913
Osalmid
CID 4602
2-Hydroxy-N-(3-(trifluoromethyl)phenyl)benzamide
CID 68519
Benzamide, N-(4-chlorophenyl)-2-hydroxy-
CID 77253
Tetrachlorosalicylanilide
CID 124579
4',5-Dichlorosalicylanilide
CID 24326
5-Chloro-2-hydroxy-N-(4-nitrophenyl)benzamide
CID 487721

Frequently Asked Questions

What is the IUPAC name of 5-Chlorosalicylanilide?
The IUPAC name of 5-Chlorosalicylanilide (CID 14869) is 5-chloro-2-hydroxy-N-phenylbenzamide.
What is the SMILES notation for 5-Chlorosalicylanilide?
The canonical SMILES for 5-Chlorosalicylanilide is C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)Cl)O.
What is the InChIKey of 5-Chlorosalicylanilide?
The InChIKey is KGYNGVVNFRUOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO2/c14-9-6-7-12(16)11(8-9)13(17)15-10-4-2-1-3-5-10/h1-8,16H,(H,15,17).
What are the key properties of 5-Chlorosalicylanilide?
5-Chlorosalicylanilide has a molecular weight of 247.67 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-Chlorosalicylanilide is sourced from PubChem (CID 14869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).