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

C14H9BrF3NO2 — CID 104580024

IUPACN-(3-bromo-2-methylphenyl)-2,4,5-trifluoro-3-hydroxybenzamide
SMILESCc1c(Br)cccc1NC(=O)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C14H9BrF3NO2/c1-6-8(15)3-2-4-10(6)19-14(21)7-5-9(16)12(18)13(20)11(7)17/h2-5,20H,1H3,(H,19,21)
InChIKeyOUWCXHYBUZWGKA-UHFFFAOYSA-N
MW360.13 g/mol
LogP4.13
Rot. Bonds2

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

N-(3-bromo-2-methylphenyl)-2,4,5-trifluoro-3-hydroxybenzamide (PubChem CID 104580024) has the molecular formula C14H9BrF3NO2 and a molecular weight of 360.13 g/mol. Its IUPAC name is N-(3-bromo-2-methylphenyl)-2,4,5-trifluoro-3-hydroxybenzamide.

Molecular Properties

Compound NameN-(3-bromo-2-methylphenyl)-2,4,5-trifluoro-3-hydroxybenzamide
PubChem CID104580024
Molecular FormulaC14H9BrF3NO2
Molecular Weight360.13 g/mol
Exact Mass358.98
IUPAC NameN-(3-bromo-2-methylphenyl)-2,4,5-trifluoro-3-hydroxybenzamide
SMILESCc1c(Br)cccc1NC(=O)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C14H9BrF3NO2/c1-6-8(15)3-2-4-10(6)19-14(21)7-5-9(16)12(18)13(20)11(7)17/h2-5,20H,1H3,(H,19,21)
InChIKeyOUWCXHYBUZWGKA-UHFFFAOYSA-N
XLogP4.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.13
LogP ≤ 54.13
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

N-(3-bromo-2-methylphenyl)-2-fluorobenzamide
CID 66606524
N-(2-bromo-3-chlorophenyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 103479739
3-bromo-2-fluoro-N-(3-fluoro-2-methylphenyl)benzamide
CID 106544652
N-(3-bromo-2-methylphenyl)-3,5-difluoro-4-(methylamino)benzamide
CID 107631048
N-(5-bromo-6-methyl-2-pyridinyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 79041376
N-(2-amino-5-methylphenyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 115912202
N-(3-bromo-2-methylphenyl)-2,5-dimethylbenzamide
CID 113230260
N-(3-bromo-2-methylphenyl)-3,5-dichlorobenzamide
CID 107640531
N-(2-amino-4-hydroxyphenyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 107697532
3-amino-N-(3-bromo-2-methylphenyl)-2-chlorobenzamide
CID 107623979
2-bromo-N-(3-fluoro-2-methylphenyl)-5-methylbenzamide
CID 81002497
2-bromo-N-(2-fluoro-3-methylphenyl)benzamide
CID 113351864

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylphenyl)-2,4,5-trifluoro-3-hydroxybenzamide?
The IUPAC name of N-(3-bromo-2-methylphenyl)-2,4,5-trifluoro-3-hydroxybenzamide (CID 104580024) is N-(3-bromo-2-methylphenyl)-2,4,5-trifluoro-3-hydroxybenzamide.
What is the SMILES notation for N-(3-bromo-2-methylphenyl)-2,4,5-trifluoro-3-hydroxybenzamide?
The canonical SMILES for N-(3-bromo-2-methylphenyl)-2,4,5-trifluoro-3-hydroxybenzamide is Cc1c(Br)cccc1NC(=O)c1cc(F)c(F)c(O)c1F.
What is the InChIKey of N-(3-bromo-2-methylphenyl)-2,4,5-trifluoro-3-hydroxybenzamide?
The InChIKey is OUWCXHYBUZWGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF3NO2/c1-6-8(15)3-2-4-10(6)19-14(21)7-5-9(16)12(18)13(20)11(7)17/h2-5,20H,1H3,(H,19,21).
What are the key properties of N-(3-bromo-2-methylphenyl)-2,4,5-trifluoro-3-hydroxybenzamide?
N-(3-bromo-2-methylphenyl)-2,4,5-trifluoro-3-hydroxybenzamide has a molecular weight of 360.13 g/mol, XLogP of 4.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylphenyl)-2,4,5-trifluoro-3-hydroxybenzamide is sourced from PubChem (CID 104580024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).