2,3,4-trifluoro-N-(4-hydroxy-2,5-dimethylphenyl)benzamide

C15H12F3NO2 — CID 106834566

IUPAC2,3,4-trifluoro-N-(4-hydroxy-2,5-dimethylphenyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(F)c(F)c2F)c(C)cc1O
InChIInChI=1S/C15H12F3NO2/c1-7-6-12(20)8(2)5-11(7)19-15(21)9-3-4-10(16)14(18)13(9)17/h3-6,20H,1-2H3,(H,19,21)
InChIKeyRMZULGRPTVDLII-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.68
Rot. Bonds2

About 2,3,4-trifluoro-N-(4-hydroxy-2,5-dimethylphenyl)benzamide

2,3,4-trifluoro-N-(4-hydroxy-2,5-dimethylphenyl)benzamide (PubChem CID 106834566) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-(4-hydroxy-2,5-dimethylphenyl)benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-(4-hydroxy-2,5-dimethylphenyl)benzamide
PubChem CID106834566
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC Name2,3,4-trifluoro-N-(4-hydroxy-2,5-dimethylphenyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(F)c(F)c2F)c(C)cc1O
InChIInChI=1S/C15H12F3NO2/c1-7-6-12(20)8(2)5-11(7)19-15(21)9-3-4-10(16)14(18)13(9)17/h3-6,20H,1-2H3,(H,19,21)
InChIKeyRMZULGRPTVDLII-UHFFFAOYSA-N
XLogP3.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-difluoro-N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide
CID 106834840
5-fluoro-2-hydroxy-N-(4-hydroxy-2,5-dimethylphenyl)benzamide
CID 106834726
2-bromo-5-chloro-N-(4-hydroxy-2,5-dimethylphenyl)benzamide
CID 106834696
N-(2,5-difluorophenyl)-2,3,4-trifluorobenzamide
CID 28560277
N-(4-hydroxy-2,5-dimethylphenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 136762066
5-chloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-2-carboxamide
CID 106834852
N-(4-chloro-2-iodophenyl)-2,3,4-trifluorobenzamide
CID 103766916
N-(2-bromo-4-chlorophenyl)-2,3,4-trifluorobenzamide
CID 81024059
2,3,4,5-tetrafluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 2397902
N-(2-fluoro-4-methylphenyl)-2-hydroxy-4-methylbenzamide
CID 28881726
2-(2,6-difluorophenyl)-N-(4-hydroxy-2,5-dimethylphenyl)acetamide
CID 106834565
2,3-difluoro-N-(2-fluoro-4-methylphenyl)benzamide
CID 62648850

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-(4-hydroxy-2,5-dimethylphenyl)benzamide?
The IUPAC name of 2,3,4-trifluoro-N-(4-hydroxy-2,5-dimethylphenyl)benzamide (CID 106834566) is 2,3,4-trifluoro-N-(4-hydroxy-2,5-dimethylphenyl)benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-(4-hydroxy-2,5-dimethylphenyl)benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-(4-hydroxy-2,5-dimethylphenyl)benzamide is Cc1cc(NC(=O)c2ccc(F)c(F)c2F)c(C)cc1O.
What is the InChIKey of 2,3,4-trifluoro-N-(4-hydroxy-2,5-dimethylphenyl)benzamide?
The InChIKey is RMZULGRPTVDLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2/c1-7-6-12(20)8(2)5-11(7)19-15(21)9-3-4-10(16)14(18)13(9)17/h3-6,20H,1-2H3,(H,19,21).
What are the key properties of 2,3,4-trifluoro-N-(4-hydroxy-2,5-dimethylphenyl)benzamide?
2,3,4-trifluoro-N-(4-hydroxy-2,5-dimethylphenyl)benzamide has a molecular weight of 295.26 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-(4-hydroxy-2,5-dimethylphenyl)benzamide is sourced from PubChem (CID 106834566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).