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

C13H7Cl4NO2 — CID 103891166

IUPAC2,5-dichloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H7Cl4NO2/c14-6-1-2-9(16)8(3-6)13(20)18-11-5-7(15)4-10(17)12(11)19/h1-5,19H,(H,18,20)
InChIKeyHYCOHTHQLAVTHM-UHFFFAOYSA-N
MW351.02 g/mol
LogP5.26
Rot. Bonds2

About 2,5-dichloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide

2,5-dichloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide (PubChem CID 103891166) has the molecular formula C13H7Cl4NO2 and a molecular weight of 351.02 g/mol. Its IUPAC name is 2,5-dichloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide
PubChem CID103891166
Molecular FormulaC13H7Cl4NO2
Molecular Weight351.02 g/mol
Exact Mass348.92
IUPAC Name2,5-dichloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H7Cl4NO2/c14-6-1-2-9(16)8(3-6)13(20)18-11-5-7(15)4-10(17)12(11)19/h1-5,19H,(H,18,20)
InChIKeyHYCOHTHQLAVTHM-UHFFFAOYSA-N
XLogP5.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.02
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dichloro-2-hydroxyphenyl)-2-hydroxybenzamide
CID 3067488
4-chloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide
CID 107675874
2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-3-methylbenzamide
CID 104625899
2,3,5-trichloro-N-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide
CID 21431939
2,5-dichloro-N-(3,5-dibromo-4-hydroxyphenyl)benzamide
CID 5119267
N-(2-bromo-5-chlorophenyl)-2-chloro-5-hydroxybenzamide
CID 106501145
4-chloro-2-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid
CID 106500157
N-(3,5-dichloro-2-hydroxyphenyl)-3,5-dimethylbenzamide
CID 107675698
2,5-dichloro-N-(4-chloro-3-hydroxyphenyl)benzamide
CID 64789245
N-(2-acetylphenyl)-2,5-dichlorobenzamide
CID 26067712
2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-6-fluorobenzamide
CID 103891179
N-(3,5-dichloro-2-hydroxyphenyl)-4-hydroxy-3-methylbenzamide
CID 103958263

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide?
The IUPAC name of 2,5-dichloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide (CID 103891166) is 2,5-dichloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide?
The canonical SMILES for 2,5-dichloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide is O=C(Nc1cc(Cl)cc(Cl)c1O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide?
The InChIKey is HYCOHTHQLAVTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl4NO2/c14-6-1-2-9(16)8(3-6)13(20)18-11-5-7(15)4-10(17)12(11)19/h1-5,19H,(H,18,20).
What are the key properties of 2,5-dichloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide?
2,5-dichloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide has a molecular weight of 351.02 g/mol, XLogP of 5.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide is sourced from PubChem (CID 103891166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).