N-(2-bromo-3-chlorophenyl)-2,4,5-trifluoro-3-hydroxybenzamide

C13H6BrClF3NO2 — CID 103479739

IUPACN-(2-bromo-3-chlorophenyl)-2,4,5-trifluoro-3-hydroxybenzamide
SMILESO=C(Nc1cccc(Cl)c1Br)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C13H6BrClF3NO2/c14-9-6(15)2-1-3-8(9)19-13(21)5-4-7(16)11(18)12(20)10(5)17/h1-4,20H,(H,19,21)
InChIKeyNPAWBYWBFIAFMA-UHFFFAOYSA-N
MW380.55 g/mol
LogP4.48
Rot. Bonds2

About N-(2-bromo-3-chlorophenyl)-2,4,5-trifluoro-3-hydroxybenzamide

N-(2-bromo-3-chlorophenyl)-2,4,5-trifluoro-3-hydroxybenzamide (PubChem CID 103479739) has the molecular formula C13H6BrClF3NO2 and a molecular weight of 380.55 g/mol. Its IUPAC name is N-(2-bromo-3-chlorophenyl)-2,4,5-trifluoro-3-hydroxybenzamide.

Molecular Properties

Compound NameN-(2-bromo-3-chlorophenyl)-2,4,5-trifluoro-3-hydroxybenzamide
PubChem CID103479739
Molecular FormulaC13H6BrClF3NO2
Molecular Weight380.55 g/mol
Exact Mass378.92
IUPAC NameN-(2-bromo-3-chlorophenyl)-2,4,5-trifluoro-3-hydroxybenzamide
SMILESO=C(Nc1cccc(Cl)c1Br)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C13H6BrClF3NO2/c14-9-6(15)2-1-3-8(9)19-13(21)5-4-7(16)11(18)12(20)10(5)17/h1-4,20H,(H,19,21)
InChIKeyNPAWBYWBFIAFMA-UHFFFAOYSA-N
XLogP4.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.55
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2-bromo-3-chlorophenyl)-4,5-difluorobenzamide
CID 103477239
3-amino-N-(2-bromo-3-chlorophenyl)-2,5-difluorobenzamide
CID 107121554
N-(3-bromo-2-methylphenyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 104580024
2-amino-N-(2-bromo-3-chlorophenyl)-5-fluorobenzamide
CID 103477110
N-(2-chloro-4-hydroxyphenyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 64788897
N-(2-bromo-3-chlorophenyl)-2,4-difluoro-5-methylbenzamide
CID 103480092
2-amino-N-(2-bromo-3-chlorophenyl)-4-fluorobenzamide
CID 103477086
5-bromo-N-(2-bromo-3-chlorophenyl)-2-chlorobenzamide
CID 103479655
N-(4-chloro-3-pyridinyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 104580540
N-(2-bromo-3-chlorophenyl)-2,6-dihydroxybenzamide
CID 107688834
N-(2-bromo-3-chlorophenyl)-3-fluorobenzamide
CID 103479730
N-(2-bromo-3-chlorophenyl)-4-fluoro-3-methylbenzamide
CID 103478813

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chlorophenyl)-2,4,5-trifluoro-3-hydroxybenzamide?
The IUPAC name of N-(2-bromo-3-chlorophenyl)-2,4,5-trifluoro-3-hydroxybenzamide (CID 103479739) is N-(2-bromo-3-chlorophenyl)-2,4,5-trifluoro-3-hydroxybenzamide.
What is the SMILES notation for N-(2-bromo-3-chlorophenyl)-2,4,5-trifluoro-3-hydroxybenzamide?
The canonical SMILES for N-(2-bromo-3-chlorophenyl)-2,4,5-trifluoro-3-hydroxybenzamide is O=C(Nc1cccc(Cl)c1Br)c1cc(F)c(F)c(O)c1F.
What is the InChIKey of N-(2-bromo-3-chlorophenyl)-2,4,5-trifluoro-3-hydroxybenzamide?
The InChIKey is NPAWBYWBFIAFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrClF3NO2/c14-9-6(15)2-1-3-8(9)19-13(21)5-4-7(16)11(18)12(20)10(5)17/h1-4,20H,(H,19,21).
What are the key properties of N-(2-bromo-3-chlorophenyl)-2,4,5-trifluoro-3-hydroxybenzamide?
N-(2-bromo-3-chlorophenyl)-2,4,5-trifluoro-3-hydroxybenzamide has a molecular weight of 380.55 g/mol, XLogP of 4.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-chlorophenyl)-2,4,5-trifluoro-3-hydroxybenzamide is sourced from PubChem (CID 103479739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).