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

C13H8Cl3NO2 — CID 107675874

IUPAC4-chloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1O)c1ccc(Cl)cc1
InChIInChI=1S/C13H8Cl3NO2/c14-8-3-1-7(2-4-8)13(19)17-11-6-9(15)5-10(16)12(11)18/h1-6,18H,(H,17,19)
InChIKeySSAIZWUOGYQZGD-UHFFFAOYSA-N
MW316.57 g/mol
LogP4.60
Rot. Bonds2

About 4-chloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide

4-chloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide (PubChem CID 107675874) has the molecular formula C13H8Cl3NO2 and a molecular weight of 316.57 g/mol. Its IUPAC name is 4-chloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide
PubChem CID107675874
Molecular FormulaC13H8Cl3NO2
Molecular Weight316.57 g/mol
Exact Mass314.96
IUPAC Name4-chloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1O)c1ccc(Cl)cc1
InChIInChI=1S/C13H8Cl3NO2/c14-8-3-1-7(2-4-8)13(19)17-11-6-9(15)5-10(16)12(11)18/h1-6,18H,(H,17,19)
InChIKeySSAIZWUOGYQZGD-UHFFFAOYSA-N
XLogP4.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.57
LogP ≤ 54.60
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

4-chloro-N-(5-chloro-2-hydroxy-3-methylphenyl)benzamide
CID 163288303
N-(3,5-dichloro-2-hydroxyphenyl)-4-hydroxy-3-methylbenzamide
CID 103958263
2,5-dichloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide
CID 103891166
N-(3,5-dichloro-2-hydroxyphenyl)-3,5-dimethylbenzamide
CID 107675698
4-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzamide
CID 5119664
N-(3,5-dichloro-2-hydroxyphenyl)-2-hydroxybenzamide
CID 3067488
N-(3,5-dichloro-2-hydroxyphenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103891192
2,3,5-trichloro-N-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide
CID 21431939
N-(2-amino-5-chlorophenyl)-4-chlorobenzamide
CID 16771665
2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-6-fluorobenzamide
CID 103891179
4-bromo-N-(2,5-dichlorophenyl)benzamide
CID 763593
4-chloro-N-(2,5-difluorophenyl)benzamide
CID 2969912

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide?
The IUPAC name of 4-chloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide (CID 107675874) is 4-chloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide.
What is the SMILES notation for 4-chloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide?
The canonical SMILES for 4-chloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide is O=C(Nc1cc(Cl)cc(Cl)c1O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide?
The InChIKey is SSAIZWUOGYQZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3NO2/c14-8-3-1-7(2-4-8)13(19)17-11-6-9(15)5-10(16)12(11)18/h1-6,18H,(H,17,19).
What are the key properties of 4-chloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide?
4-chloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide has a molecular weight of 316.57 g/mol, XLogP of 4.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide is sourced from PubChem (CID 107675874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).