4-bromo-3-chloro-N-(3-fluoro-4-hydroxyphenyl)benzamide

C13H8BrClFNO2 — CID 81295822

IUPAC4-bromo-3-chloro-N-(3-fluoro-4-hydroxyphenyl)benzamide
SMILESO=C(Nc1ccc(O)c(F)c1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H8BrClFNO2/c14-9-3-1-7(5-10(9)15)13(19)17-8-2-4-12(18)11(16)6-8/h1-6,18H,(H,17,19)
InChIKeyWSSRNVVERFCXSO-UHFFFAOYSA-N
MW344.57 g/mol
LogP4.20
Rot. Bonds2

About 4-bromo-3-chloro-N-(3-fluoro-4-hydroxyphenyl)benzamide

4-bromo-3-chloro-N-(3-fluoro-4-hydroxyphenyl)benzamide (PubChem CID 81295822) has the molecular formula C13H8BrClFNO2 and a molecular weight of 344.57 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-(3-fluoro-4-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-(3-fluoro-4-hydroxyphenyl)benzamide
PubChem CID81295822
Molecular FormulaC13H8BrClFNO2
Molecular Weight344.57 g/mol
Exact Mass342.94
IUPAC Name4-bromo-3-chloro-N-(3-fluoro-4-hydroxyphenyl)benzamide
SMILESO=C(Nc1ccc(O)c(F)c1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H8BrClFNO2/c14-9-3-1-7(5-10(9)15)13(19)17-8-2-4-12(18)11(16)6-8/h1-6,18H,(H,17,19)
InChIKeyWSSRNVVERFCXSO-UHFFFAOYSA-N
XLogP4.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 54.20
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-3-fluorophenyl)-3-fluorobenzamide
CID 65435198
3-bromo-N-(4-chloro-3-hydroxyphenyl)-4-fluorobenzamide
CID 107953628
4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 81307032
N-(4-bromo-3-chlorophenyl)-3-chloro-4-iodobenzamide
CID 107613087
4-bromo-N-(3-bromo-4-fluorophenyl)-3-hydroxybenzamide
CID 113342873
N-(4-bromo-3-chlorophenyl)-4-fluoro-3-methoxybenzamide
CID 103824600
4-bromo-3-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 81295641
4-bromo-3-chloro-N-(5-chloro-2-fluorophenyl)benzamide
CID 81308166
4-bromo-3-chloro-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 80961600
4-bromo-N-(3-bromophenyl)-3-chlorobenzamide
CID 81295310
4-bromo-3-chloro-N-(4-chloro-3-cyanophenyl)benzamide
CID 81308168
6-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 64782062

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-(3-fluoro-4-hydroxyphenyl)benzamide?
The IUPAC name of 4-bromo-3-chloro-N-(3-fluoro-4-hydroxyphenyl)benzamide (CID 81295822) is 4-bromo-3-chloro-N-(3-fluoro-4-hydroxyphenyl)benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-(3-fluoro-4-hydroxyphenyl)benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-(3-fluoro-4-hydroxyphenyl)benzamide is O=C(Nc1ccc(O)c(F)c1)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-(3-fluoro-4-hydroxyphenyl)benzamide?
The InChIKey is WSSRNVVERFCXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClFNO2/c14-9-3-1-7(5-10(9)15)13(19)17-8-2-4-12(18)11(16)6-8/h1-6,18H,(H,17,19).
What are the key properties of 4-bromo-3-chloro-N-(3-fluoro-4-hydroxyphenyl)benzamide?
4-bromo-3-chloro-N-(3-fluoro-4-hydroxyphenyl)benzamide has a molecular weight of 344.57 g/mol, XLogP of 4.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-(3-fluoro-4-hydroxyphenyl)benzamide is sourced from PubChem (CID 81295822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).