2,6-difluoro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide

C17H17F2NO2 — CID 138811101

IUPAC2,6-difluoro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide
SMILESCc1cc(O)c(C(C)C)cc1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C17H17F2NO2/c1-9(2)11-8-14(10(3)7-15(11)21)20-17(22)16-12(18)5-4-6-13(16)19/h4-9,21H,1-3H3,(H,20,22)
InChIKeyXTAKZSYIPYPIEE-UHFFFAOYSA-N
MW305.32 g/mol
LogP4.35
Rot. Bonds3

About 2,6-difluoro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide

2,6-difluoro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide (PubChem CID 138811101) has the molecular formula C17H17F2NO2 and a molecular weight of 305.32 g/mol. Its IUPAC name is 2,6-difluoro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide
PubChem CID138811101
Molecular FormulaC17H17F2NO2
Molecular Weight305.32 g/mol
Exact Mass305.12
IUPAC Name2,6-difluoro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide
SMILESCc1cc(O)c(C(C)C)cc1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C17H17F2NO2/c1-9(2)11-8-14(10(3)7-15(11)21)20-17(22)16-12(18)5-4-6-13(16)19/h4-9,21H,1-3H3,(H,20,22)
InChIKeyXTAKZSYIPYPIEE-UHFFFAOYSA-N
XLogP4.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methylbenzamide
CID 706309
2-fluoro-6-hydroxy-N-(2-propan-2-ylphenyl)benzamide
CID 104916685
N-(4-amino-2,5-dimethylphenyl)-2,6-difluorobenzamide
CID 103144635
1-(difluoromethyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 19268513
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methylsulfanylthiophene-2-carboxamide
CID 75430929
2,6-difluoro-N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide
CID 106834840
N-(2,5-difluoro-4-methylphenyl)-2-fluoro-6-hydroxybenzamide
CID 107015415
N-(4-amino-5-chloro-2-methylphenyl)-2,6-difluorobenzamide
CID 104667512
2,6-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64794940
2-fluoro-6-hydroxy-N-(4-methoxy-2-methylphenyl)benzamide
CID 104917345
2-fluoro-6-hydroxy-N-(3-hydroxy-2-methylphenyl)benzamide
CID 107015430
N-(2-bromo-4-methylphenyl)-2,6-difluorobenzamide
CID 24689737

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide?
The IUPAC name of 2,6-difluoro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide (CID 138811101) is 2,6-difluoro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 2,6-difluoro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide?
The canonical SMILES for 2,6-difluoro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide is Cc1cc(O)c(C(C)C)cc1NC(=O)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide?
The InChIKey is XTAKZSYIPYPIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2/c1-9(2)11-8-14(10(3)7-15(11)21)20-17(22)16-12(18)5-4-6-13(16)19/h4-9,21H,1-3H3,(H,20,22).
What are the key properties of 2,6-difluoro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide?
2,6-difluoro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide has a molecular weight of 305.32 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 138811101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).