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

C13H9BrClNO2 — CID 64786775

IUPAC4-bromo-N-(2-chloro-4-hydroxyphenyl)benzamide
SMILESO=C(Nc1ccc(O)cc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C13H9BrClNO2/c14-9-3-1-8(2-4-9)13(18)16-12-6-5-10(17)7-11(12)15/h1-7,17H,(H,16,18)
InChIKeyGOFLEURRHCOXTC-UHFFFAOYSA-N
MW326.58 g/mol
LogP4.06
Rot. Bonds2

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

4-bromo-N-(2-chloro-4-hydroxyphenyl)benzamide (PubChem CID 64786775) has the molecular formula C13H9BrClNO2 and a molecular weight of 326.58 g/mol. Its IUPAC name is 4-bromo-N-(2-chloro-4-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(2-chloro-4-hydroxyphenyl)benzamide
PubChem CID64786775
Molecular FormulaC13H9BrClNO2
Molecular Weight326.58 g/mol
Exact Mass324.95
IUPAC Name4-bromo-N-(2-chloro-4-hydroxyphenyl)benzamide
SMILESO=C(Nc1ccc(O)cc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C13H9BrClNO2/c14-9-3-1-8(2-4-9)13(18)16-12-6-5-10(17)7-11(12)15/h1-7,17H,(H,16,18)
InChIKeyGOFLEURRHCOXTC-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': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(4-bromo-2-chlorophenyl)benzamide
CID 7924398
4-bromo-N-(2-chloro-4-iodophenyl)benzamide
CID 47183104
3-chloro-N-(2-chloro-4-hydroxyphenyl)-4-hydroxybenzamide
CID 64787162
4-bromo-N-(2-fluoro-4-hydroxyphenyl)benzamide
CID 64787655
3,5-dichloro-N-(2-chloro-4-hydroxyphenyl)benzamide
CID 64788114
N-(2-chloro-4-hydroxyphenyl)-4-methoxybenzamide;N-(2-chloro-4-methoxyphenyl)-4-methoxybenzamide
CID 86605166
5-bromo-N-(2-chloro-4-hydroxyphenyl)-2-methylbenzamide
CID 65307125
methyl 4-[(4-bromo-2-chlorophenyl)carbamoyl]benzoate
CID 26239580
4-bromo-N-(2,5-dichloro-4-methylphenyl)benzamide
CID 113445906
4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide
CID 28534866
4-bromo-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 60954513
4-bromo-N-(2,5-dichlorophenyl)benzamide
CID 763593

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-chloro-4-hydroxyphenyl)benzamide?
The IUPAC name of 4-bromo-N-(2-chloro-4-hydroxyphenyl)benzamide (CID 64786775) is 4-bromo-N-(2-chloro-4-hydroxyphenyl)benzamide.
What is the SMILES notation for 4-bromo-N-(2-chloro-4-hydroxyphenyl)benzamide?
The canonical SMILES for 4-bromo-N-(2-chloro-4-hydroxyphenyl)benzamide is O=C(Nc1ccc(O)cc1Cl)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2-chloro-4-hydroxyphenyl)benzamide?
The InChIKey is GOFLEURRHCOXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClNO2/c14-9-3-1-8(2-4-9)13(18)16-12-6-5-10(17)7-11(12)15/h1-7,17H,(H,16,18).
What are the key properties of 4-bromo-N-(2-chloro-4-hydroxyphenyl)benzamide?
4-bromo-N-(2-chloro-4-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-(2-chloro-4-hydroxyphenyl)benzamide is sourced from PubChem (CID 64786775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).