N-(4-bromo-2,3-dichlorophenyl)-2-chloro-5-hydroxybenzamide

C13H7BrCl3NO2 — CID 107791092

IUPACN-(4-bromo-2,3-dichlorophenyl)-2-chloro-5-hydroxybenzamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1Cl)c1cc(O)ccc1Cl
InChIInChI=1S/C13H7BrCl3NO2/c14-8-2-4-10(12(17)11(8)16)18-13(20)7-5-6(19)1-3-9(7)15/h1-5,19H,(H,18,20)
InChIKeyXKCWQZXIUBNCPW-UHFFFAOYSA-N
MW395.47 g/mol
LogP5.37
Rot. Bonds2

About N-(4-bromo-2,3-dichlorophenyl)-2-chloro-5-hydroxybenzamide

N-(4-bromo-2,3-dichlorophenyl)-2-chloro-5-hydroxybenzamide (PubChem CID 107791092) has the molecular formula C13H7BrCl3NO2 and a molecular weight of 395.47 g/mol. Its IUPAC name is N-(4-bromo-2,3-dichlorophenyl)-2-chloro-5-hydroxybenzamide.

Molecular Properties

Compound NameN-(4-bromo-2,3-dichlorophenyl)-2-chloro-5-hydroxybenzamide
PubChem CID107791092
Molecular FormulaC13H7BrCl3NO2
Molecular Weight395.47 g/mol
Exact Mass392.87
IUPAC NameN-(4-bromo-2,3-dichlorophenyl)-2-chloro-5-hydroxybenzamide
SMILESO=C(Nc1ccc(Br)c(Cl)c1Cl)c1cc(O)ccc1Cl
InChIInChI=1S/C13H7BrCl3NO2/c14-8-2-4-10(12(17)11(8)16)18-13(20)7-5-6(19)1-3-9(7)15/h1-5,19H,(H,18,20)
InChIKeyXKCWQZXIUBNCPW-UHFFFAOYSA-N
XLogP5.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.47
LogP ≤ 55.37
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

2-chloro-N-(2,5-dibromophenyl)-5-hydroxybenzamide
CID 106501529
2-chloro-N-(2,4-dibromophenyl)-5-hydroxybenzamide
CID 106501538
N-(2-bromo-5-chlorophenyl)-2-chloro-5-hydroxybenzamide
CID 106501145
4-bromo-3-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid
CID 107812576
2,5-dibromo-N-(4-bromo-2,3-dichlorophenyl)benzamide
CID 107791014
2-[(2-chloro-5-hydroxybenzoyl)amino]-5-iodobenzoic acid
CID 106500272
2-chloro-5-hydroxy-N-(2,4,5-trichlorophenyl)benzamide
CID 106501235
N-(5-amino-2-bromo-4-methylphenyl)-2-chloro-5-hydroxybenzamide
CID 106500146
2-chloro-N-(2,4-dimethylphenyl)-5-hydroxybenzamide
CID 106501171
2-chloro-N-(2-chloro-5-fluorophenyl)-5-hydroxybenzamide
CID 107528809
2-bromo-4-chloro-N-(2-chloro-4-hydroxyphenyl)benzamide
CID 107989011
3-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-fluorobenzamide
CID 107953841

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-2-chloro-5-hydroxybenzamide?
The IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-2-chloro-5-hydroxybenzamide (CID 107791092) is N-(4-bromo-2,3-dichlorophenyl)-2-chloro-5-hydroxybenzamide.
What is the SMILES notation for N-(4-bromo-2,3-dichlorophenyl)-2-chloro-5-hydroxybenzamide?
The canonical SMILES for N-(4-bromo-2,3-dichlorophenyl)-2-chloro-5-hydroxybenzamide is O=C(Nc1ccc(Br)c(Cl)c1Cl)c1cc(O)ccc1Cl.
What is the InChIKey of N-(4-bromo-2,3-dichlorophenyl)-2-chloro-5-hydroxybenzamide?
The InChIKey is XKCWQZXIUBNCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl3NO2/c14-8-2-4-10(12(17)11(8)16)18-13(20)7-5-6(19)1-3-9(7)15/h1-5,19H,(H,18,20).
What are the key properties of N-(4-bromo-2,3-dichlorophenyl)-2-chloro-5-hydroxybenzamide?
N-(4-bromo-2,3-dichlorophenyl)-2-chloro-5-hydroxybenzamide has a molecular weight of 395.47 g/mol, XLogP of 5.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,3-dichlorophenyl)-2-chloro-5-hydroxybenzamide is sourced from PubChem (CID 107791092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).