5-bromo-N-(3,5-dichloro-4-fluorophenyl)-2-hydroxybenzamide

C13H7BrCl2FNO2 — CID 107729876

IUPAC5-bromo-N-(3,5-dichloro-4-fluorophenyl)-2-hydroxybenzamide
SMILESO=C(Nc1cc(Cl)c(F)c(Cl)c1)c1cc(Br)ccc1O
InChIInChI=1S/C13H7BrCl2FNO2/c14-6-1-2-11(19)8(3-6)13(20)18-7-4-9(15)12(17)10(16)5-7/h1-5,19H,(H,18,20)
InChIKeyFTHAGKSBQVDGPS-UHFFFAOYSA-N
MW379.01 g/mol
LogP4.85
Rot. Bonds2

About 5-bromo-N-(3,5-dichloro-4-fluorophenyl)-2-hydroxybenzamide

5-bromo-N-(3,5-dichloro-4-fluorophenyl)-2-hydroxybenzamide (PubChem CID 107729876) has the molecular formula C13H7BrCl2FNO2 and a molecular weight of 379.01 g/mol. Its IUPAC name is 5-bromo-N-(3,5-dichloro-4-fluorophenyl)-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(3,5-dichloro-4-fluorophenyl)-2-hydroxybenzamide
PubChem CID107729876
Molecular FormulaC13H7BrCl2FNO2
Molecular Weight379.01 g/mol
Exact Mass376.90
IUPAC Name5-bromo-N-(3,5-dichloro-4-fluorophenyl)-2-hydroxybenzamide
SMILESO=C(Nc1cc(Cl)c(F)c(Cl)c1)c1cc(Br)ccc1O
InChIInChI=1S/C13H7BrCl2FNO2/c14-6-1-2-11(19)8(3-6)13(20)18-7-4-9(15)12(17)10(16)5-7/h1-5,19H,(H,18,20)
InChIKeyFTHAGKSBQVDGPS-UHFFFAOYSA-N
XLogP4.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.01
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dichloro-4-fluorophenyl)-2-hydroxybenzamide
CID 107575419
N-(4-acetamido-3-chlorophenyl)-5-bromo-2-hydroxybenzamide
CID 25470533
N-(3-amino-4-chlorophenyl)-5-bromo-2-hydroxybenzamide
CID 107729182
N-(5-bromo-2-chlorophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298791
5-bromo-2-hydroxy-N-(2,4,6-trichlorophenyl)benzamide
CID 107729693
4-bromo-2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 63935703
5-bromo-N-(4-chloro-3-hydroxyphenyl)-2-fluorobenzamide
CID 64786910
5-chloro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide
CID 62812024
5-bromo-N-(4-bromophenyl)-2-hydroxybenzamide;5-bromo-2-hydroxy-N-phenylbenzamide
CID 175557226
3-bromo-5-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid
CID 107729450
N-(3-chloro-4-hydroxyphenyl)-5-fluoro-2-hydroxybenzamide
CID 115299202
4-bromo-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide
CID 62812192

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,5-dichloro-4-fluorophenyl)-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-(3,5-dichloro-4-fluorophenyl)-2-hydroxybenzamide (CID 107729876) is 5-bromo-N-(3,5-dichloro-4-fluorophenyl)-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-(3,5-dichloro-4-fluorophenyl)-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-(3,5-dichloro-4-fluorophenyl)-2-hydroxybenzamide is O=C(Nc1cc(Cl)c(F)c(Cl)c1)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-N-(3,5-dichloro-4-fluorophenyl)-2-hydroxybenzamide?
The InChIKey is FTHAGKSBQVDGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2FNO2/c14-6-1-2-11(19)8(3-6)13(20)18-7-4-9(15)12(17)10(16)5-7/h1-5,19H,(H,18,20).
What are the key properties of 5-bromo-N-(3,5-dichloro-4-fluorophenyl)-2-hydroxybenzamide?
5-bromo-N-(3,5-dichloro-4-fluorophenyl)-2-hydroxybenzamide has a molecular weight of 379.01 g/mol, XLogP of 4.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,5-dichloro-4-fluorophenyl)-2-hydroxybenzamide is sourced from PubChem (CID 107729876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).