2-bromo-N-(4-chloro-3-hydroxyphenyl)-5-fluorobenzamide

C13H8BrClFNO2 — CID 64789249

IUPAC2-bromo-N-(4-chloro-3-hydroxyphenyl)-5-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)c(O)c1)c1cc(F)ccc1Br
InChIInChI=1S/C13H8BrClFNO2/c14-10-3-1-7(16)5-9(10)13(19)17-8-2-4-11(15)12(18)6-8/h1-6,18H,(H,17,19)
InChIKeyYODVKQQERDLJGY-UHFFFAOYSA-N
MW344.57 g/mol
LogP4.20
Rot. Bonds2

About 2-bromo-N-(4-chloro-3-hydroxyphenyl)-5-fluorobenzamide

2-bromo-N-(4-chloro-3-hydroxyphenyl)-5-fluorobenzamide (PubChem CID 64789249) has the molecular formula C13H8BrClFNO2 and a molecular weight of 344.57 g/mol. Its IUPAC name is 2-bromo-N-(4-chloro-3-hydroxyphenyl)-5-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(4-chloro-3-hydroxyphenyl)-5-fluorobenzamide
PubChem CID64789249
Molecular FormulaC13H8BrClFNO2
Molecular Weight344.57 g/mol
Exact Mass342.94
IUPAC Name2-bromo-N-(4-chloro-3-hydroxyphenyl)-5-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)c(O)c1)c1cc(F)ccc1Br
InChIInChI=1S/C13H8BrClFNO2/c14-10-3-1-7(16)5-9(10)13(19)17-8-2-4-11(15)12(18)6-8/h1-6,18H,(H,17,19)
InChIKeyYODVKQQERDLJGY-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

N-(3-amino-4-chlorophenyl)-2-bromo-5-fluorobenzamide
CID 16777113
5-bromo-N-(4-chloro-3-hydroxyphenyl)-2-fluorobenzamide
CID 64786910
2-bromo-5-fluoro-N-pyridin-4-ylbenzamide
CID 24689645
N-(3-chloro-4-hydroxyphenyl)-5-fluoro-2-hydroxybenzamide
CID 115299202
2-bromo-5-fluoro-N-(4-sulfamoylphenyl)benzamide
CID 9035116
N-(3-amino-4-fluorophenyl)-2-bromo-5-fluorobenzamide
CID 16777839
4-chloro-N-(4-chloro-3-hydroxyphenyl)-2,5-difluorobenzamide
CID 82772330
2-bromo-N-(2,6-dichlorophenyl)-5-fluorobenzamide
CID 60667247
3-bromo-N-(4-chloro-3-hydroxyphenyl)-4-fluorobenzamide
CID 107953628
4-[(2-bromo-5-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 43102869
2,5-dichloro-N-(4-chloro-3-hydroxyphenyl)benzamide
CID 64789245
N-(3-bromo-4-fluorophenyl)-2,5-difluorobenzamide
CID 115661483

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-chloro-3-hydroxyphenyl)-5-fluorobenzamide?
The IUPAC name of 2-bromo-N-(4-chloro-3-hydroxyphenyl)-5-fluorobenzamide (CID 64789249) is 2-bromo-N-(4-chloro-3-hydroxyphenyl)-5-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(4-chloro-3-hydroxyphenyl)-5-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(4-chloro-3-hydroxyphenyl)-5-fluorobenzamide is O=C(Nc1ccc(Cl)c(O)c1)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-N-(4-chloro-3-hydroxyphenyl)-5-fluorobenzamide?
The InChIKey is YODVKQQERDLJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClFNO2/c14-10-3-1-7(16)5-9(10)13(19)17-8-2-4-11(15)12(18)6-8/h1-6,18H,(H,17,19).
What are the key properties of 2-bromo-N-(4-chloro-3-hydroxyphenyl)-5-fluorobenzamide?
2-bromo-N-(4-chloro-3-hydroxyphenyl)-5-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 2-bromo-N-(4-chloro-3-hydroxyphenyl)-5-fluorobenzamide is sourced from PubChem (CID 64789249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).