3-fluoro-N-(2-hydroxy-4-methylphenyl)-4-methylbenzamide

C15H14FNO2 — CID 9087267

IUPAC3-fluoro-N-(2-hydroxy-4-methylphenyl)-4-methylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(C)c(F)c2)c(O)c1
InChIInChI=1S/C15H14FNO2/c1-9-3-6-13(14(18)7-9)17-15(19)11-5-4-10(2)12(16)8-11/h3-8,18H,1-2H3,(H,17,19)
InChIKeyDMSJMQIEFYEFAQ-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.40
Rot. Bonds2

About 3-fluoro-N-(2-hydroxy-4-methylphenyl)-4-methylbenzamide

3-fluoro-N-(2-hydroxy-4-methylphenyl)-4-methylbenzamide (PubChem CID 9087267) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 3-fluoro-N-(2-hydroxy-4-methylphenyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-(2-hydroxy-4-methylphenyl)-4-methylbenzamide
PubChem CID9087267
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name3-fluoro-N-(2-hydroxy-4-methylphenyl)-4-methylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(C)c(F)c2)c(O)c1
InChIInChI=1S/C15H14FNO2/c1-9-3-6-13(14(18)7-9)17-15(19)11-5-4-10(2)12(16)8-11/h3-8,18H,1-2H3,(H,17,19)
InChIKeyDMSJMQIEFYEFAQ-UHFFFAOYSA-N
XLogP3.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-(2-hydroxy-4-methylphenyl)benzamide
CID 60654456
N-(2-fluoro-5-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 28881843
3-fluoro-N-(2-hydroxy-4-methylphenyl)benzamide
CID 2112106
3-fluoro-4-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 26690686
2-[(3-fluoro-4-methylbenzoyl)amino]-5-hydroxybenzoic acid
CID 61405723
N-(5-tert-butyl-2-hydroxyphenyl)-3-fluoro-4-methylbenzamide
CID 27673068
4-fluoro-N-(2-fluoro-4-methylphenyl)-3-methylbenzamide
CID 55163065
3-chloro-N-(2-fluoro-4-methylphenyl)-4-hydroxybenzamide
CID 28881729
N-(2-hydroxy-4-methylphenyl)-6-methylpyridine-3-carboxamide
CID 51331568
3-N-(2-hydroxy-4-methylphenyl)benzene-1,3-dicarboxamide
CID 30828617
3,4-diethoxy-N-(2-hydroxy-4-methylphenyl)benzamide
CID 26864885
N-(2-acetylphenyl)-3-fluoro-4-methylbenzamide
CID 17407608

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-hydroxy-4-methylphenyl)-4-methylbenzamide?
The IUPAC name of 3-fluoro-N-(2-hydroxy-4-methylphenyl)-4-methylbenzamide (CID 9087267) is 3-fluoro-N-(2-hydroxy-4-methylphenyl)-4-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-(2-hydroxy-4-methylphenyl)-4-methylbenzamide?
The canonical SMILES for 3-fluoro-N-(2-hydroxy-4-methylphenyl)-4-methylbenzamide is Cc1ccc(NC(=O)c2ccc(C)c(F)c2)c(O)c1.
What is the InChIKey of 3-fluoro-N-(2-hydroxy-4-methylphenyl)-4-methylbenzamide?
The InChIKey is DMSJMQIEFYEFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-9-3-6-13(14(18)7-9)17-15(19)11-5-4-10(2)12(16)8-11/h3-8,18H,1-2H3,(H,17,19).
What are the key properties of 3-fluoro-N-(2-hydroxy-4-methylphenyl)-4-methylbenzamide?
3-fluoro-N-(2-hydroxy-4-methylphenyl)-4-methylbenzamide has a molecular weight of 259.28 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-hydroxy-4-methylphenyl)-4-methylbenzamide is sourced from PubChem (CID 9087267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).