3-bromo-N-(4-chloro-3-hydroxyphenyl)-4-fluorobenzamide

C13H8BrClFNO2 — CID 107953628

IUPAC3-bromo-N-(4-chloro-3-hydroxyphenyl)-4-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)c(O)c1)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H8BrClFNO2/c14-9-5-7(1-4-11(9)16)13(19)17-8-2-3-10(15)12(18)6-8/h1-6,18H,(H,17,19)
InChIKeyYNZSCZGLMWAUEW-UHFFFAOYSA-N
MW344.57 g/mol
LogP4.20
Rot. Bonds2

About 3-bromo-N-(4-chloro-3-hydroxyphenyl)-4-fluorobenzamide

3-bromo-N-(4-chloro-3-hydroxyphenyl)-4-fluorobenzamide (PubChem CID 107953628) has the molecular formula C13H8BrClFNO2 and a molecular weight of 344.57 g/mol. Its IUPAC name is 3-bromo-N-(4-chloro-3-hydroxyphenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(4-chloro-3-hydroxyphenyl)-4-fluorobenzamide
PubChem CID107953628
Molecular FormulaC13H8BrClFNO2
Molecular Weight344.57 g/mol
Exact Mass342.94
IUPAC Name3-bromo-N-(4-chloro-3-hydroxyphenyl)-4-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)c(O)c1)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H8BrClFNO2/c14-9-5-7(1-4-11(9)16)13(19)17-8-2-3-10(15)12(18)6-8/h1-6,18H,(H,17,19)
InChIKeyYNZSCZGLMWAUEW-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

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Related Compounds

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CID 113342873
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5-bromo-N-(4-chloro-3-hydroxyphenyl)-2-fluorobenzamide
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4-bromo-3-chloro-N-(3-fluoro-4-hydroxyphenyl)benzamide
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3-bromo-N-(2-chloro-4-pyridinyl)-4-fluorobenzamide
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3-bromo-N-[4-(chloromethyl)phenyl]-4-fluorobenzamide
CID 107956665
3-bromo-N-(3-cyano-4-fluorophenyl)-4-fluorobenzamide
CID 103707295
N-(3-bromo-4-fluorophenyl)-3-fluoro-4-methylbenzamide
CID 115661442
3-bromo-4-fluoro-N-(3-fluorophenyl)benzamide
CID 103706269
N-(4-amino-3-bromophenyl)-4-chloro-3-fluorobenzamide
CID 107997647
3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide
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2-bromo-N-(4-chloro-3-hydroxyphenyl)-5-fluorobenzamide
CID 64789249

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-chloro-3-hydroxyphenyl)-4-fluorobenzamide?
The IUPAC name of 3-bromo-N-(4-chloro-3-hydroxyphenyl)-4-fluorobenzamide (CID 107953628) is 3-bromo-N-(4-chloro-3-hydroxyphenyl)-4-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(4-chloro-3-hydroxyphenyl)-4-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(4-chloro-3-hydroxyphenyl)-4-fluorobenzamide is O=C(Nc1ccc(Cl)c(O)c1)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-N-(4-chloro-3-hydroxyphenyl)-4-fluorobenzamide?
The InChIKey is YNZSCZGLMWAUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClFNO2/c14-9-5-7(1-4-11(9)16)13(19)17-8-2-3-10(15)12(18)6-8/h1-6,18H,(H,17,19).
What are the key properties of 3-bromo-N-(4-chloro-3-hydroxyphenyl)-4-fluorobenzamide?
3-bromo-N-(4-chloro-3-hydroxyphenyl)-4-fluorobenzamide 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 3-bromo-N-(4-chloro-3-hydroxyphenyl)-4-fluorobenzamide is sourced from PubChem (CID 107953628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).