2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide

C13H9Cl2NO2 — CID 5119935

IUPAC2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide
SMILESO=C(Nc1ccc(O)c(Cl)c1)c1ccccc1Cl
InChIInChI=1S/C13H9Cl2NO2/c14-10-4-2-1-3-9(10)13(18)16-8-5-6-12(17)11(15)7-8/h1-7,17H,(H,16,18)
InChIKeyNOQWUAJSLCMKCJ-UHFFFAOYSA-N
MW282.13 g/mol
LogP3.95
Rot. Bonds2

About 2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide

2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide (PubChem CID 5119935) has the molecular formula C13H9Cl2NO2 and a molecular weight of 282.13 g/mol. Its IUPAC name is 2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide
PubChem CID5119935
Molecular FormulaC13H9Cl2NO2
Molecular Weight282.13 g/mol
Exact Mass281.00
IUPAC Name2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide
SMILESO=C(Nc1ccc(O)c(Cl)c1)c1ccccc1Cl
InChIInChI=1S/C13H9Cl2NO2/c14-10-4-2-1-3-9(10)13(18)16-8-5-6-12(17)11(15)7-8/h1-7,17H,(H,16,18)
InChIKeyNOQWUAJSLCMKCJ-UHFFFAOYSA-N
XLogP3.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(3-chloro-4-hydroxyphenyl)-3-fluorobenzamide
CID 79039798
4-bromo-2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 63935703
N-(3-chloro-4-hydroxyphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 64787521
N-(3-acetyl-4-chlorophenyl)-2-chlorobenzamide
CID 22888926
N-(3-chloro-4-hydroxyphenyl)-5-fluoro-2-hydroxybenzamide
CID 115299202
N-(3-acetamidophenyl)-2-chlorobenzamide
CID 792012
3-chloro-N-(4-hydroxy-3-methylphenyl)-2-methylbenzamide
CID 107097234
2-chloro-N-(4-sulfanylphenyl)benzamide
CID 27137419
N-(3,5-dichloro-4-fluorophenyl)-2-hydroxybenzamide
CID 107575419
4,5-dichloro-N-(3-chloro-4-hydroxyphenyl)-1H-pyrrole-2-carboxamide
CID 64787518
3,5-dibromo-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 107972808
2-[(3,4-dichlorophenyl)carbamoyl]benzoate
CID 5106258

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide?
The IUPAC name of 2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide (CID 5119935) is 2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide.
What is the SMILES notation for 2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide?
The canonical SMILES for 2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide is O=C(Nc1ccc(O)c(Cl)c1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide?
The InChIKey is NOQWUAJSLCMKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO2/c14-10-4-2-1-3-9(10)13(18)16-8-5-6-12(17)11(15)7-8/h1-7,17H,(H,16,18).
What are the key properties of 2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide?
2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide has a molecular weight of 282.13 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide is sourced from PubChem (CID 5119935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).