4-bromo-N-(5-chloro-2-hydroxyphenyl)benzamide

C13H9BrClNO2 — CID 868443

IUPAC4-bromo-N-(5-chloro-2-hydroxyphenyl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1O)c1ccc(Br)cc1
InChIInChI=1S/C13H9BrClNO2/c14-9-3-1-8(2-4-9)13(18)16-11-7-10(15)5-6-12(11)17/h1-7,17H,(H,16,18)
InChIKeyUSJDPHSLXXILDF-UHFFFAOYSA-N
MW326.58 g/mol
LogP4.06
Rot. Bonds2

About 4-bromo-N-(5-chloro-2-hydroxyphenyl)benzamide

4-bromo-N-(5-chloro-2-hydroxyphenyl)benzamide (PubChem CID 868443) has the molecular formula C13H9BrClNO2 and a molecular weight of 326.58 g/mol. Its IUPAC name is 4-bromo-N-(5-chloro-2-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(5-chloro-2-hydroxyphenyl)benzamide
PubChem CID868443
Molecular FormulaC13H9BrClNO2
Molecular Weight326.58 g/mol
Exact Mass324.95
IUPAC Name4-bromo-N-(5-chloro-2-hydroxyphenyl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1O)c1ccc(Br)cc1
InChIInChI=1S/C13H9BrClNO2/c14-9-3-1-8(2-4-9)13(18)16-11-7-10(15)5-6-12(11)17/h1-7,17H,(H,16,18)
InChIKeyUSJDPHSLXXILDF-UHFFFAOYSA-N
XLogP4.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.58
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-chloro-2-hydroxyphenyl)benzamide?
The IUPAC name of 4-bromo-N-(5-chloro-2-hydroxyphenyl)benzamide (CID 868443) is 4-bromo-N-(5-chloro-2-hydroxyphenyl)benzamide.
What is the SMILES notation for 4-bromo-N-(5-chloro-2-hydroxyphenyl)benzamide?
The canonical SMILES for 4-bromo-N-(5-chloro-2-hydroxyphenyl)benzamide is O=C(Nc1cc(Cl)ccc1O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(5-chloro-2-hydroxyphenyl)benzamide?
The InChIKey is USJDPHSLXXILDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClNO2/c14-9-3-1-8(2-4-9)13(18)16-11-7-10(15)5-6-12(11)17/h1-7,17H,(H,16,18).
What are the key properties of 4-bromo-N-(5-chloro-2-hydroxyphenyl)benzamide?
4-bromo-N-(5-chloro-2-hydroxyphenyl)benzamide has a molecular weight of 326.58 g/mol, XLogP of 4.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-chloro-2-hydroxyphenyl)benzamide is sourced from PubChem (CID 868443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).