2,6-difluoro-N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide

C16H15F2NO2 — CID 106834840

IUPAC2,6-difluoro-N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide
SMILESCc1cc(NC(=O)c2c(F)ccc(C)c2F)c(C)cc1O
InChIInChI=1S/C16H15F2NO2/c1-8-4-5-11(17)14(15(8)18)16(21)19-12-6-10(3)13(20)7-9(12)2/h4-7,20H,1-3H3,(H,19,21)
InChIKeyIQPJMUPELDNTRI-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.85
Rot. Bonds2

About 2,6-difluoro-N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide

2,6-difluoro-N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide (PubChem CID 106834840) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is 2,6-difluoro-N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide
PubChem CID106834840
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name2,6-difluoro-N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide
SMILESCc1cc(NC(=O)c2c(F)ccc(C)c2F)c(C)cc1O
InChIInChI=1S/C16H15F2NO2/c1-8-4-5-11(17)14(15(8)18)16(21)19-12-6-10(3)13(20)7-9(12)2/h4-7,20H,1-3H3,(H,19,21)
InChIKeyIQPJMUPELDNTRI-UHFFFAOYSA-N
XLogP3.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.85
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

2,3,4-trifluoro-N-(4-hydroxy-2,5-dimethylphenyl)benzamide
CID 106834566
N-(5-cyano-2-methylphenyl)-2,6-difluoro-3-methylbenzamide
CID 82797664
5-fluoro-2-hydroxy-N-(4-hydroxy-2,5-dimethylphenyl)benzamide
CID 106834726
5-chloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-2-carboxamide
CID 106834852
2,6-difluoro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide
CID 138811101
2,6-difluoro-N-[2-(hydroxymethyl)phenyl]-3-methylbenzamide
CID 82815708
N-(4-amino-2,5-dimethylphenyl)-2,6-difluorobenzamide
CID 103144635
N-(5-amino-2-methoxyphenyl)-2,6-difluoro-3-methylbenzamide
CID 82797723
2-bromo-5-chloro-N-(4-hydroxy-2,5-dimethylphenyl)benzamide
CID 106834696
N-(4-hydroxy-2,5-dimethylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 106834710
2-(2,6-difluorophenyl)-N-(4-hydroxy-2,5-dimethylphenyl)acetamide
CID 106834565
N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide
CID 5120746

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide?
The IUPAC name of 2,6-difluoro-N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide (CID 106834840) is 2,6-difluoro-N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide.
What is the SMILES notation for 2,6-difluoro-N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide?
The canonical SMILES for 2,6-difluoro-N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide is Cc1cc(NC(=O)c2c(F)ccc(C)c2F)c(C)cc1O.
What is the InChIKey of 2,6-difluoro-N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide?
The InChIKey is IQPJMUPELDNTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-8-4-5-11(17)14(15(8)18)16(21)19-12-6-10(3)13(20)7-9(12)2/h4-7,20H,1-3H3,(H,19,21).
What are the key properties of 2,6-difluoro-N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide?
2,6-difluoro-N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide has a molecular weight of 291.30 g/mol, XLogP of 3.85, 2 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-2,5-dimethylphenyl)-3-methylbenzamide is sourced from PubChem (CID 106834840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).